data_1tvi_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 1tvi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 3' ' ' ARG . 4.0 mp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -93.95 124.76 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.92 127.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 36' ' ' VAL . 1.1 pt? -141.54 162.91 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.24 -150.01 20.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -163.25 142.55 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 135.56 143.77 4.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.2 tttt -40.09 104.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.34 -44.13 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.428 ' N ' HD11 ' A' ' 38' ' ' LEU . 11.8 t -64.57 -54.01 38.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -55.72 -37.18 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD12 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -72.64 -29.98 63.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -74.78 -52.52 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.06 -20.92 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -73.11 -50.35 23.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.81 37.58 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -68.03 -58.43 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 51.7 mt-10 -57.72 -30.18 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -41.88 83.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.54 ' CD1' ' CG1' ' A' ' 100' ' ' VAL . 7.0 mt -76.36 -34.39 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 23.9 mt-10 -58.91 -20.36 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.85 -52.68 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 25' ' ' VAL . 42.8 pt -61.66 -45.5 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.3 p -63.15 -41.64 93.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -66.31 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -57.68 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -44.02 -61.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -148.93 -58.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.08 49.35 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -166.22 56.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG23 ' CD2' ' A' ' 107' ' ' LEU . 25.5 t -124.79 163.09 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 11.1 m-70 -142.75 103.17 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.85 113.1 41.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 2.7 m120 -93.68 110.96 22.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.475 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -97.11 135.02 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.584 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.9 mp -112.52 107.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 11' ' ' SER . 14.3 mt -79.7 119.29 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.2 m -144.42 135.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 p -72.11 -165.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.08 -52.71 32.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -67.45 -43.65 80.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.8 70.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 HG12 ' CD1' ' A' ' 61' ' ' LEU . 7.1 tt -80.67 -32.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -47.81 45.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.19 -49.89 11.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -45.14 -33.65 2.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.9 t-20 -65.68 -51.62 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.25 -23.19 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.76 -51.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.11 -24.01 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.05 9.13 70.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.411 ' NE2' ' HG2' ' A' ' 52' ' ' ARG . 1.9 pt20 -108.63 150.84 26.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -107.29 96.24 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.11 133.19 0.56 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.29 22.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.7 t -153.78 172.98 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' OG1' ' A' ' 58' ' ' THR . 8.0 t0 -68.64 -54.78 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 76' ' ' VAL . 2.6 p -154.69 137.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.55 128.1 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.2 m -108.21 147.87 30.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.2 129.65 50.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 81.1 t80 41.15 36.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -113.44 -165.75 16.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.563 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 9.1 pt-20 -126.56 114.77 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.97 145.93 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 5.8 m-85 -108.36 142.0 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.502 ' CG2' HG21 ' A' ' 99' ' ' VAL . 75.5 t -131.0 155.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 4.7 p -142.21 101.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.44 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.66 -51.88 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.22 -36.77 37.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 96.6 t -59.43 -51.22 75.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.76 -41.11 90.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -53.43 -36.25 61.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 24.6 m-80 -78.64 -38.68 39.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -66.91 -26.54 66.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -54.06 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -78.22 -37.08 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 3.2 t80 -84.0 7.17 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER 38.38 37.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -87.12 160.01 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 93' ' ' GLU . 29.4 p -87.29 98.57 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -42.22 -26.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 8.8 pt-20 -63.74 -45.83 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' NZ ' HG13 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -69.55 -51.61 33.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -53.13 -35.46 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.339 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.3 tm? -81.1 -38.24 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -57.42 -33.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 70.3 mt-10 -58.19 -55.74 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.502 HG21 ' CG2' ' A' ' 76' ' ' VAL . 4.9 m -61.47 -27.02 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.54 ' CG1' ' CD1' ' A' ' 21' ' ' LEU . 44.1 t -68.72 -57.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' LEU . 38.4 pt -74.18 -16.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 106' ' ' HIS . 13.3 t-80 -52.12 -28.6 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.18 6.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.0 mt -73.86 -53.92 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -48.19 -27.42 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 102' ' ' HIS . 3.1 m170 -64.32 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.475 ' CD2' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.53 -1.27 26.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -66.78 -30.29 70.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -39.95 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -26.29 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.452 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 27.5 tt0 -81.68 -34.32 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -17.29 56.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -60.71 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.19 -31.94 73.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 101' ' ' ILE . 1.2 t -59.35 -54.69 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.429 ' N ' HG11 ' A' ' 130' ' ' VAL . 7.8 pt-20 -67.65 -34.13 76.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -68.36 -48.65 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.83 -37.45 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 134' ' ' TRP . 11.5 t90 -74.47 -14.76 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 108.004 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.98 -23.98 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -87.28 -58.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.569 ' CZ2' HD12 ' A' ' 13' ' ' LEU . 3.0 m0 -57.44 -21.34 36.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.058 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -33.5 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.7 m -65.29 -12.1 48.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.79 70.4 81.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.05 127.51 52.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.99 108.52 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.479 ' CG ' HG13 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -128.11 159.26 35.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.14 -169.33 34.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mt-10 -138.83 142.89 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.06 134.42 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.8 ttpt -39.82 112.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.48 -28.23 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 38' ' ' LEU . 13.6 t -57.6 -48.9 78.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -33.39 69.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -63.94 -29.47 70.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.38 -53.32 8.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.36 -20.61 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.25 -37.21 66.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.6 OUTLIER -122.43 34.76 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -57.21 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.96 -24.44 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -34.9 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 14' ' ' LEU . 6.5 mt -79.75 -32.72 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.1 -22.81 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.5 -49.45 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.63 -34.81 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -65.14 -49.67 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -69.06 -38.86 79.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -52.21 -58.29 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -69.05 -59.72 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 5.1 tp -174.19 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.12 70.65 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.2 t70 -164.98 53.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.76 178.02 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -150.15 104.36 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.18 114.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -107.83 137.29 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 4.2 t -112.31 142.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 75' ' ' TYR . 3.0 mp -116.52 107.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 11' ' ' SER . 11.8 mt -79.02 116.29 19.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.405 ' O ' HG21 ' A' ' 39' ' ' VAL . 33.0 m -142.6 136.69 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -76.66 -170.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.519 ' N ' ' OG ' ' A' ' 40' ' ' SER . 16.9 tt0 -59.81 -52.61 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.75 -49.55 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.79 -39.48 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CG1' HD13 ' A' ' 61' ' ' LEU . 1.5 tt -82.89 -31.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -49.3 -47.86 46.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.3 mt-10 -79.45 -49.28 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.533 HD12 ' CD2' ' A' ' 75' ' ' TYR . 2.0 tm? -45.29 -34.33 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.4 t-20 -66.35 -44.57 82.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.01 -23.53 59.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.24 -31.37 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -127.36 -53.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -69.55 -17.74 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.45 16.99 11.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.55 135.62 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -92.95 94.54 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -174.97 132.92 0.47 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.1 t -156.32 173.9 16.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 58' ' ' THR . 25.8 m-20 -73.01 -49.02 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.71 136.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.08 126.52 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -90.9 141.11 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 6.4 t80 -79.59 135.74 56.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' GLY . 9.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.602 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -67.73 60.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -111.87 -140.43 8.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 9.5 pt-20 -133.77 113.75 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.52 145.03 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 37' ' ' ILE . 18.6 m-85 -102.77 120.47 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG1' HG22 ' A' ' 99' ' ' VAL . 42.7 t -111.23 152.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 1.8 p -140.62 98.19 7.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.1 Cg_endo -75.0 2.49 6.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -81.57 -47.62 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.13 -25.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 42.6 t -76.58 -54.79 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 11.8 pt-20 -48.49 -49.5 35.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 10.6 pt-20 -59.6 -29.0 67.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.82 -34.51 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.03 -28.0 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.6 pt-20 -76.35 -24.61 54.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -117.2 13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 45.69 29.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.5 t30 -74.59 156.81 36.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 94' ' ' LYS . 1.5 m -72.31 97.63 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.03 -48.29 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -56.25 -42.22 77.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -64.38 -47.31 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 2.1 mm-40 -57.57 -44.25 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -65.21 -29.32 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 102' ' ' HIS . 47.4 mt-10 -66.05 -57.77 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.492 HG22 ' CG1' ' A' ' 76' ' ' VAL . 31.4 m -56.84 -24.04 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.461 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.5 t -71.09 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.491 HD13 ' CG2' ' A' ' 130' ' ' VAL . 21.5 pt -72.72 -17.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 8.5 t-80 -51.58 -27.98 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -41.78 13.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 108' ' ' ALA . 15.9 mt -79.44 -54.1 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.48 -32.3 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 102' ' ' HIS . 1.9 m-70 -61.43 -56.69 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.544 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.423 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 3.2 tt -85.08 8.29 18.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -82.44 -29.87 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.21 -61.11 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 1.5 mttt -56.52 -24.46 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -77.03 -37.27 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -17.89 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -61.03 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 16.3 m-85 -65.84 -33.46 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -57.23 -55.13 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.32 -28.24 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -52.7 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 97' ' ' LEU . 99.5 t -71.71 -30.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 10.6 t90 -78.87 -13.78 59.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.62 -31.0 21.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.11 -57.52 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.5 m95 -55.07 -21.62 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.98 -43.44 73.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -17.28 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.87 77.22 70.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.425 1.75 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.52 126.94 41.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -105.2 135.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -148.68 160.55 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.28 -161.08 35.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 3.4 mt-10 -141.8 141.71 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.75 136.99 3.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.24 107.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -30.23 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -55.6 -53.61 54.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -71.84 -43.01 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.587 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -52.03 -31.33 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.6 -52.67 8.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.33 -20.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -71.89 -40.06 69.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.94 36.68 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -57.37 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.9 -30.06 71.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -57.14 -37.14 71.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 1.4 mt -81.35 -30.39 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.78 -21.08 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 mt-10 -72.11 -50.15 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 104' ' ' ILE . 31.6 pt -64.45 -42.39 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.83 -48.33 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 43.1 tttt -67.37 -33.34 75.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.4 tttt -61.58 -43.74 98.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 5.0 tp10 -78.38 1.89 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 28' ' ' GLU . 10.1 tp 45.01 52.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.17 89.52 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.26 97.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -132.64 -166.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -150.54 120.55 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.5 t -105.83 111.01 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -91.57 108.99 20.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 2.4 t -98.73 132.03 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.676 ' CG2' ' CE2' ' A' ' 75' ' ' TYR . 2.7 mp -110.55 108.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 7.2 mt -79.62 121.78 25.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 77' ' ' CYS . 34.0 m -149.6 141.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.459 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 3.6 p -78.34 -164.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -74.1 -38.38 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -75.12 -38.3 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.33 -38.9 74.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 40' ' ' SER . 1.3 tt -76.38 -32.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -47.13 57.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.1 mt-10 -79.44 -49.33 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -45.57 -40.73 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.9 t-20 -62.22 -44.15 97.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 22.2 mt-30 -74.0 -23.9 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' GLU . 47.9 mt-30 -62.4 -20.08 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 47' ' ' LEU . 23.2 m-85 -130.55 -54.58 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' ASN . 13.6 mmt180 -74.47 -22.1 59.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 49' ' ' GLN . . . 62.45 11.95 37.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 6.4 mt-30 -106.77 136.39 46.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -90.84 95.43 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -174.58 128.34 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 61' ' ' LEU . 2.0 t -155.09 171.46 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.5 -52.78 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.38 134.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 58' ' ' THR . 0.0 OUTLIER -94.83 128.97 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 m -111.21 141.44 44.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -84.82 140.19 37.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' GLY . 10.1 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 19.0 t80 38.23 29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.57 -155.09 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 1.1 mt-10 -121.86 119.13 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.421 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 34.6 pt -107.1 143.08 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.676 ' CE2' ' CG2' ' A' ' 37' ' ' ILE . 20.0 m-85 -103.55 128.26 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 99' ' ' VAL . 24.5 t -123.06 149.33 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.427 ' N ' HG11 ' A' ' 76' ' ' VAL . 5.7 p -138.39 104.0 7.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.55 7.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -57.36 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.79 -33.25 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 54.3 t -63.93 -50.68 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG2' ' CG ' ' A' ' 92' ' ' PHE . 44.2 mt-10 -65.32 -42.64 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.39 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.89 -52.3 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -56.61 -28.38 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 1.1 mtm105 -61.13 -45.0 96.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.56 -22.12 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -101.19 11.0 40.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.4 t-20 39.86 29.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' PHE . 48.5 t30 -81.66 156.32 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 94' ' ' LYS . 19.0 p -74.76 97.61 3.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -48.22 -26.82 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 4.0 pt-20 -69.04 -43.67 74.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -68.76 -51.37 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.3 tm-20 -53.49 -36.09 61.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 99' ' ' VAL . 1.7 tm? -80.81 -35.74 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' HIS . 17.0 mt-10 -62.36 -55.21 30.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.488 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 1.7 m -55.47 -25.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 14' ' ' LEU . 73.4 t -76.07 -57.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 105' ' ' LEU . 2.4 pt -66.95 -16.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.601 ' O ' ' CE1' ' A' ' 106' ' ' HIS . 11.7 t60 -51.86 -39.02 58.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.08 62.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.472 ' CG2' HD11 ' A' ' 24' ' ' ILE . 66.4 mt -80.02 -25.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -55.35 -44.9 76.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 3.7 m-70 -58.42 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -23.8 62.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.47 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.476 0.179 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 4.2 mttp -64.13 -29.88 70.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.53 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -17.89 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -72.39 -55.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 12.0 m-85 -69.59 -29.97 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -60.23 -55.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 135' ' ' GLY . 8.6 pt-20 -67.41 -34.13 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.9 OUTLIER -65.19 -47.68 76.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 97' ' ' LEU . 72.7 t -79.8 -31.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.55 ' CB ' ' O ' ' A' ' 130' ' ' VAL . 9.3 t90 -79.49 -12.88 59.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -49.77 -29.04 12.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.92 -57.07 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.587 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.9 m95 -56.57 -20.3 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.34 -28.33 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 m -69.47 -7.45 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.36 79.64 24.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.04 -87.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 61.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.435 ' CD1' ' N ' ' A' ' 2' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -141.68 127.8 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.411 HG21 ' CB ' ' A' ' 11' ' ' SER . 8.8 mt -89.92 100.72 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.45 139.67 30.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.98 -143.31 46.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.61 157.12 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.88 157.57 7.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -40.09 104.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.92 -30.63 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.163 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.411 ' CB ' HG21 ' A' ' 4' ' ' ILE . 2.1 t -56.27 -54.77 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -69.39 -43.2 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -51.43 -31.8 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.03 -53.15 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.22 -20.53 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.69 -51.21 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD22 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.36 35.66 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -70.79 -50.71 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -61.18 -31.37 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 4.3 tptt -59.64 -37.7 79.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 3.9 mt -79.05 -28.7 43.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 7.5 mt-10 -64.04 -20.95 66.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.32 -52.42 10.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 104' ' ' ILE . 39.5 pt -59.83 -46.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.405 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.2 p -64.85 -42.52 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 18.8 tttt -64.92 -35.91 82.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -64.46 -42.54 95.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.06 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.27 -62.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 106.0 32.23 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -169.53 92.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -140.92 -169.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -151.83 108.6 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.582 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.68 102.1 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.8 m120 -102.09 103.03 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.6 133.8 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 75' ' ' TYR . 2.4 mp -92.34 107.6 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -81.82 113.58 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.29 136.77 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 p -71.54 -165.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -73.17 -41.63 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -43.89 56.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.64 -37.59 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 tt -80.33 -33.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -47.93 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.83 -34.45 45.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD13 ' CZ ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -56.5 -53.0 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.87 -44.84 78.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' OE1' ' CA ' ' A' ' 54' ' ' GLN . 5.5 mm-40 -50.31 -32.2 16.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -53.65 -28.08 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -119.61 -47.69 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -69.69 -30.24 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.76 3.56 55.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CA ' ' OE1' ' A' ' 49' ' ' GLN . 17.6 pt20 -138.34 161.22 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.28 104.23 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 5.7 mmm180 -142.17 104.63 5.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.524 ' CG2' ' CD1' ' A' ' 61' ' ' LEU . 1.9 t -167.53 171.4 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -74.68 -47.55 31.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.56 131.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.524 ' CD1' ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.37 138.79 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 t -106.91 139.84 40.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 4.8 t80 -80.15 142.1 54.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' VAL . 42.0 p90 37.9 29.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -120.17 -111.31 2.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 4.5 pt-20 -146.42 160.63 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.56 132.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 37' ' ' ILE . 46.8 m-85 -83.08 119.02 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.522 ' CG1' HG22 ' A' ' 99' ' ' VAL . 33.1 t -112.79 146.24 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 p -145.28 96.35 4.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.98 0.07 9.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.38 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.2 mp -76.07 -35.36 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 86.0 t -54.12 -52.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.6 -49.47 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -35.99 71.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 19.2 m120 -77.92 -30.83 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 90' ' ' ASN . . . -76.72 -36.33 57.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 -26.73 48.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.59 -24.92 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -135.06 -75.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER 169.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 3.4 t30 -89.03 134.8 33.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.7 p -73.75 97.93 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -40.69 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 13.8 pt-20 -59.23 -53.48 57.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 4.1 ttpt -63.59 -52.22 61.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.98 -30.43 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 13' ' ' LEU . 5.6 tt -81.6 -41.43 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.503 HD21 ' CG1' ' A' ' 133' ' ' VAL . 1.6 mp -53.86 -29.23 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 102' ' ' HIS . 76.6 mt-10 -63.98 -52.52 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' CG1' ' A' ' 76' ' ' VAL . 27.5 m -62.05 -25.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 21' ' ' LEU . 2.3 t -75.92 -57.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 130' ' ' VAL . 18.5 pt -70.8 -16.47 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 68.4 t60 -51.93 -30.18 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.64 -49.81 5.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 60.3 mt -66.54 -52.64 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.13 -32.63 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -59.4 -57.45 12.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -11.39 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -65.8 -22.42 66.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.529 0.204 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.78 -54.39 27.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -61.21 -24.37 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.3 -34.79 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -18.63 51.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.99 -53.38 17.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 2.9 m-85 -72.91 -37.34 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.7 t -55.26 -55.34 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.13 -31.0 70.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -54.36 8.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.503 ' CG1' HD21 ' A' ' 97' ' ' LEU . 42.8 t -68.91 -27.13 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.502 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.4 t90 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.94 -26.7 11.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.66 -58.49 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.573 ' CD1' HD22 ' A' ' 17' ' ' LEU . 4.8 m95 -58.57 -21.14 52.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.5 mmm180 -56.39 -29.32 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -4.51 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -141.88 63.87 16.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.3 Cg_endo -75.01 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 2' ' ' ILE . 4.9 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -130.14 146.54 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.53 157.02 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' VAL . 8.7 mt -130.9 157.97 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.4 -129.95 33.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -163.64 161.53 23.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 144.83 139.75 3.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -38.85 104.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.38 -27.77 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.41 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 3.9 t -60.49 -53.52 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.42 63.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.628 HD12 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -68.1 -30.06 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.05 -50.71 12.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -51.55 -20.72 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -73.6 -44.85 56.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.28 42.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -54.03 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.14 -35.66 79.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.25 -35.92 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 8.7 mt -80.13 -28.61 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.4 mt-10 -64.56 -19.48 65.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -77.07 -54.02 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -51.71 -46.97 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 104' ' ' ILE . 22.7 m -61.42 -43.99 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -67.92 -27.81 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 6.7 tttp -70.39 -43.78 69.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.78 13.61 27.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.4 tp 44.13 55.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.86 -59.81 2.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 49.5 80.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 33' ' ' HIS . 4.9 m -148.27 -161.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 32' ' ' VAL . 62.6 m-70 -138.1 115.33 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.55 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.01 101.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -95.62 99.9 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.1 m -87.39 141.65 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.1 mp -104.64 108.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.2 mt -80.67 118.09 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 ' CG2' HD11 ' A' ' 44' ' ' ILE . 13.9 m -152.33 140.26 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.427 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 33.3 p -73.91 -164.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -73.02 -43.26 62.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -27.69 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' HB2' ' N ' ' A' ' 40' ' ' SER . 45.1 mt-10 -74.83 -42.59 57.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 39' ' ' VAL . 2.0 tp -76.44 -30.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.07 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.26 -46.28 20.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.63 -53.38 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 5.0 t-20 -56.07 -27.29 52.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -24.82 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.4 -22.02 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -129.87 -53.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 6.2 tpt85 -71.23 -24.15 62.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.28 13.22 35.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.06 140.75 46.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.13 95.32 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.56 128.55 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -144.39 13.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.5 m-20 76.32 -52.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 75' ' ' TYR . 3.3 p -154.87 130.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.512 ' CD1' ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.39 133.34 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 t -115.3 149.99 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.02 145.67 43.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.981 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 11.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 6.9 p90 31.84 37.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -122.32 -138.89 5.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -129.7 159.1 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.493 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 12.1 tt -149.35 117.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.595 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 85.2 m-85 -76.56 134.51 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 99' ' ' VAL . 47.7 t -125.1 149.46 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -142.21 93.5 7.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.331 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.81 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -57.22 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.54 -41.66 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 92.3 t -53.37 -53.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 10.7 tt0 -56.02 -45.05 79.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -54.71 -44.3 73.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.51 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.09 -26.89 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 10.9 mtt180 -72.0 -39.68 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.6 -9.65 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -128.99 14.44 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 38.83 36.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -73.96 171.9 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.521 HG22 ' CZ2' ' A' ' 134' ' ' TRP . 18.0 m -86.37 97.36 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -50.12 -36.68 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 1.1 mp0 -66.48 -46.88 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.4 OUTLIER -64.87 -47.98 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.8 -43.53 69.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.55 -34.45 65.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -59.71 -30.45 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' HIS . 27.6 mt-10 -60.56 -56.72 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 76' ' ' VAL . 2.9 m -61.46 -24.21 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -68.92 -52.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 105' ' ' LEU . 49.5 pt -80.69 -16.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.493 ' CD2' ' CD1' ' A' ' 74' ' ' ILE . 12.9 t60 -51.42 -28.73 13.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.89 -51.14 4.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 25' ' ' VAL . 81.4 mt -68.98 -54.93 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.7 -24.19 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -58.46 -67.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -19.76 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -56.66 -22.45 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.981 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.458 0.171 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.95 -54.26 28.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.472 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 5.0 mtmm -55.94 -24.36 37.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 15.0 tt0 -75.92 -38.9 57.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -67.94 -34.81 77.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -53.18 -50.9 63.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 2.7 m-85 -72.76 -45.12 60.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.46 -45.6 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.1 mt-10 -67.38 -42.2 83.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.51 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 97' ' ' LEU . 92.2 t -71.85 -39.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.9 t90 -75.95 -13.19 60.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.25 -33.31 23.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.58 -54.02 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.628 ' CZ2' HD12 ' A' ' 13' ' ' LEU . 5.2 m95 -56.89 -20.14 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.31 -35.32 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -15.74 19.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.76 83.4 14.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -146.26 148.21 32.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.91 149.63 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 37' ' ' ILE . 17.9 mt -129.38 163.06 26.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 54.13 -133.26 45.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.4 156.94 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.81 136.98 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -38.27 104.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.93 -28.34 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.84 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -43.39 81.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -49.64 -33.71 16.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -76.0 -47.75 23.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.18 -24.66 7.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -68.87 -47.86 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.34 41.26 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -47.85 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.82 -34.38 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.99 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 4.5 mt -79.42 -27.53 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' C ' HG23 ' A' ' 25' ' ' VAL . 3.6 mt-10 -66.59 -19.81 65.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -53.24 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 17.6 pt -51.41 -45.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 104' ' ' ILE . 34.8 m -67.17 -48.51 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 25' ' ' VAL . 1.4 tppt? -57.17 -41.48 79.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -60.07 -48.89 79.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.01 -61.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.1 tp -147.95 -57.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 90.37 54.77 2.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -169.61 66.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.07 160.57 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.25 101.72 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -120.21 105.36 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -99.27 138.9 35.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 2.8 t -108.72 137.57 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.595 ' N ' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -99.63 106.37 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.2 108.31 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG2' HD11 ' A' ' 44' ' ' ILE . 14.8 m -144.44 137.21 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 2.2 p -67.67 -163.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 22.8 tt0 -71.81 -49.79 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -35.29 74.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 mt-10 -60.94 -37.47 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -83.29 -30.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -48.39 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 6.0 mt-10 -80.64 -49.13 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -46.47 -35.31 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 10.4 t-20 -57.46 -55.04 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 7.9 pt20 -69.51 -27.31 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -56.41 -20.9 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CD1' HD11 ' A' ' 47' ' ' LEU . 4.7 m-85 -129.82 -51.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ASN . 19.9 mmt85 -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.6 -1.27 62.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.12 152.67 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -102.35 100.69 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -172.89 126.49 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 174.29 13.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.412 ' CG2' ' CD1' ' A' ' 61' ' ' LEU . 3.6 t -166.14 170.86 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -59.01 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 75' ' ' TYR . 2.3 p -145.39 136.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -96.46 129.4 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 m -101.93 130.35 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 12.1 t80 -83.58 141.92 42.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.6 p90 -163.23 45.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.67 -113.32 2.44 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -157.7 160.19 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.422 ' C ' HG12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -137.17 139.99 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.57 ' CE1' HD12 ' A' ' 47' ' ' LEU . 71.0 m-85 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 99' ' ' VAL . 44.2 t -130.33 151.03 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 1.9 m -145.87 101.08 4.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.51 -53.59 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 2.7 mp -75.05 -39.42 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 62.1 t -53.56 -49.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 15.8 mt-10 -68.87 -48.15 64.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -44.27 73.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -37.73 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -67.07 -28.47 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtm180 -67.21 -35.5 79.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -84.68 -21.87 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.3 t80 -112.04 15.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.2 t-20 39.56 30.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' PHE . 14.2 t30 -75.82 158.4 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -82.52 97.9 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -52.59 -24.83 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.601 ' CB ' ' CE3' ' A' ' 137' ' ' TRP . 10.5 pt-20 -73.91 -50.41 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 32.5 ttpt -66.37 -42.99 87.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 8.7 tt0 -54.71 -43.21 72.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 13' ' ' LEU . 9.1 tt -74.18 -42.5 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -51.35 -32.4 25.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' HIS . 24.3 mt-10 -62.27 -52.84 62.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG23 ' CG1' ' A' ' 76' ' ' VAL . 10.6 m -63.18 -25.68 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 21' ' ' LEU . 44.6 t -71.05 -56.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.485 HD11 ' CG2' ' A' ' 130' ' ' VAL . 20.3 pt -75.75 -15.44 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' GLU . 67.0 t60 -51.08 -33.12 24.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -52.83 4.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 68.0 mt -61.95 -52.67 57.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.54 -36.28 22.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -47.45 85.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.36 -16.91 55.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -66.96 -26.56 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -46.15 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -28.75 66.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -80.59 -34.31 35.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -17.43 54.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -67.18 -59.79 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.474 ' HB2' ' CD1' ' A' ' 101' ' ' ILE . 3.3 m-85 -67.53 -36.73 81.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.04 -56.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -48.93 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.433 HG13 ' CD2' ' A' ' 21' ' ' LEU . 93.0 t -71.1 -35.26 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.5 t90 -71.3 -13.67 61.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.53 6.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.38 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.73 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.601 ' CE3' ' CB ' ' A' ' 93' ' ' GLU . 3.0 m95 -56.37 -21.34 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -52.44 -23.61 6.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 m -75.6 -1.47 24.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.85 81.05 12.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 2' ' ' ILE . 5.1 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' CB ' ' HA ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -98.39 124.1 42.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.24 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -90.06 145.96 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.73 -148.11 17.97 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.105 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -162.47 168.58 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.86 159.32 8.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -39.54 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.02 -37.33 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 54.3 p -54.98 -53.97 48.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.58 -42.82 99.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.584 HD12 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -55.4 -32.71 62.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -75.5 -53.51 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.21 -20.03 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -71.52 -37.49 71.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -127.9 38.88 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -54.28 27.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -20.6 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -37.32 86.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 14' ' ' LEU . 16.1 mt -80.54 -34.69 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -54.64 -20.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.16 -52.2 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG2' ' CD1' ' A' ' 129' ' ' TYR . 11.0 pt -71.45 -26.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.11 -42.55 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' N ' HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -68.69 -52.59 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -51.54 -45.62 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.49 -61.06 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 tt -145.69 -53.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.04 -27.2 0.34 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -161.61 130.19 4.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.501 ' CG1' HD12 ' A' ' 107' ' ' LEU . 13.5 t -129.5 159.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.67 110.01 17.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 t -134.84 104.23 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.486 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -84.71 126.79 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.583 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.5 mp -94.32 108.09 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 13.2 mt -84.15 111.28 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG12 ' C ' ' A' ' 38' ' ' LEU . 33.4 m -137.02 131.71 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 11.1 p -69.18 -164.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 17.2 tt0 -70.39 -48.49 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.25 -36.3 71.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' SER . 6.7 mm-40 -64.06 -39.72 94.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 tt -79.6 -34.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.54 43.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.1 mt-10 -79.46 -48.94 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -44.71 -42.42 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 6.6 t-20 -57.82 -41.39 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.4 tt0 -79.67 -25.99 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -57.11 -23.96 50.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.04 -50.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -70.22 -19.09 63.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.29 6.18 56.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -110.91 144.06 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -99.47 95.65 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 3.5 ppt_? -174.23 130.04 0.48 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.3 t -152.87 171.41 18.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 29.7 m-20 -61.76 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.19 138.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.67 130.74 46.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.5 m -112.77 148.32 35.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -78.83 146.81 69.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.608 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 18.3 p90 33.27 36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.56 -134.18 5.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.596 ' OE1' ' CE1' ' A' ' 75' ' ' TYR . 12.7 pt-20 -127.25 151.59 48.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -131.31 118.23 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.596 ' CE1' ' OE1' ' A' ' 73' ' ' GLU . 65.1 m-85 -85.29 126.45 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 99' ' ' VAL . 14.9 t -127.62 148.2 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.81 104.51 11.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.37 17.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -73.74 -53.98 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -76.89 -39.67 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 77.0 t -56.7 -58.4 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.1 pt-20 -55.88 -46.18 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -52.52 -31.57 36.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 7.0 m120 -78.98 -49.93 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -55.07 -27.22 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 4.1 mtp-105 -66.88 -43.16 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.5 pt-20 -76.36 -17.64 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.7 t80 -115.77 13.21 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.2 t-20 41.22 28.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 88' ' ' PHE . 47.7 t30 -81.53 150.39 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.434 HG22 ' CG ' ' A' ' 93' ' ' GLU . 2.3 m -69.69 96.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -43.1 -42.7 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.586 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -56.43 -41.57 76.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CE ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -65.58 -47.94 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 3.2 tt0 -57.14 -37.37 71.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.496 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -81.2 -29.91 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.4 -39.32 88.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' HIS . 9.0 mt-10 -58.75 -55.55 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' A' ' 76' ' ' VAL . 19.4 m -58.13 -22.06 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -77.5 -59.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 130' ' ' VAL . 44.9 pt -71.27 -16.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -54.04 -48.29 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.29 -53.03 49.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.9 mt -63.54 -42.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -49.03 -52.87 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 12.9 m80 -55.96 -38.29 70.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.501 HD12 ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.96 9.06 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 105' ' ' LEU . . . -77.53 -30.14 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.536 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.02 -61.2 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.22 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.437 HE22 ' CE1' ' A' ' 102' ' ' HIS . 12.2 tt0 -73.25 -38.49 65.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -24.52 60.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -57.1 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CD1' ' CG2' ' A' ' 24' ' ' ILE . 12.2 m-85 -72.99 -43.82 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.22 -51.66 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.2 mm-40 -60.55 -26.0 66.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.57 -52.95 6.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.486 ' CG1' HD22 ' A' ' 97' ' ' LEU . 95.1 t -66.09 -49.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 138' ' ' ARG . 10.4 t90 -65.49 -13.16 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.77 -31.66 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.8 -56.08 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 93' ' ' GLU . 6.9 m95 -56.41 -20.57 20.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.4 mmt85 -52.41 -30.62 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -14.57 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.74 65.76 47.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 141' ' ' PRO . 50.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 2.3 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.21 123.37 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.97 110.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 1.1 pt? -125.62 163.21 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.48 -174.69 40.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.86 140.97 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.34 141.31 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -39.65 105.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.8 -35.19 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 45.1 t -55.44 -51.29 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.44 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD11 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -49.63 -32.05 12.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.16 -47.98 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.83 -19.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.49 -48.77 21.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -117.7 40.58 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.68 -58.02 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 2.1 mt-10 -57.91 -35.01 70.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.72 -40.44 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 101' ' ' ILE . 6.5 mt -77.95 -28.87 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 5.5 mt-10 -65.94 -20.8 66.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.8 mt-10 -74.91 -52.95 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 104' ' ' ILE . 24.7 pt -54.21 -43.98 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 22' ' ' GLU . 8.8 p -73.28 -41.95 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 3.4 ttmt -53.5 -53.74 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -60.34 -49.79 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -44.8 -60.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 tp -138.97 -61.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.46 -62.14 0.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.78 147.03 42.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 107' ' ' LEU . 6.2 m -141.04 -158.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 71' ' ' TYR . 8.6 m-70 -141.44 97.69 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.69 102.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.448 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 8.3 m-80 -95.64 105.98 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.01 131.0 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 75' ' ' TYR . 2.0 mp -114.29 107.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.7 mt -84.12 120.16 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 m -142.8 136.35 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -70.16 -164.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.58 -51.33 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.73 -32.35 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -31.2 69.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 61' ' ' LEU . 12.1 tt -88.85 -28.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -49.67 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.23 -49.77 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -44.01 -36.79 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 5.3 t-20 -61.18 -50.6 72.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -71.68 -24.8 61.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -58.81 -19.42 41.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -129.93 -53.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.87 -0.22 72.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -105.01 147.21 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.79 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.3 97.87 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -169.23 130.89 1.07 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.78 15.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -166.2 171.86 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.64 -69.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -136.63 135.47 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.65 126.31 40.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.8 m -104.07 141.13 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -77.71 128.92 78.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 91.0 t80 41.97 35.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.33 -136.59 3.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.568 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 12.3 pt-20 -135.6 120.21 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.804 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.6 tt -104.92 142.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CD1' HD11 ' A' ' 37' ' ' ILE . 49.7 m-85 -103.66 129.72 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 99' ' ' VAL . 3.0 t -122.03 152.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.6 t -138.98 99.37 8.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.03 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.53 -41.96 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 61.8 t -53.34 -56.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 12.9 pt-20 -62.91 -47.47 83.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 9.4 tp10 -53.64 -36.56 62.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 12.3 m-80 -75.07 -35.94 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -72.52 -28.35 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -63.6 -34.39 77.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -84.8 -20.75 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -109.5 12.31 24.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 43.49 27.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 88' ' ' PHE . 50.0 t30 -79.59 156.84 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 p -70.91 98.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 1.3 t80 -50.77 -30.36 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 4.7 pt-20 -73.18 -41.62 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -66.03 -49.76 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.4 -42.13 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -74.0 -36.62 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -57.12 -29.44 63.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.6 mt-10 -62.51 -56.71 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 76' ' ' VAL . 25.9 m -60.24 -25.58 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.479 HG23 ' CD2' ' A' ' 14' ' ' LEU . 25.2 t -69.71 -57.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.505 HD11 ' CG2' ' A' ' 130' ' ' VAL . 23.2 pt -74.55 -16.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.4 t-80 -50.7 -32.44 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.36 -49.59 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 24' ' ' ILE . 69.4 mt -65.63 -54.37 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.1 -27.1 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.419 ' N ' HD11 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -66.43 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -70.43 -15.96 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -58.87 -17.74 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.479 0.181 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.14 -61.54 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 2.1 mttp -56.53 -29.41 61.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 12.4 tt0 -76.06 -36.61 58.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -75.1 -17.4 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -59.34 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 18.0 m-85 -70.19 -37.55 75.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.505 ' CG2' HD11 ' A' ' 101' ' ' ILE . 1.2 t -54.47 -43.7 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 tt0 -60.25 -50.13 74.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -57.72 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.471 ' CG1' HD21 ' A' ' 97' ' ' LEU . 85.6 t -60.95 -47.89 91.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 10.3 t90 -64.74 -13.67 55.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.53 -26.18 9.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.22 -62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 10.2 m95 -56.3 -20.61 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.12 -32.28 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.6 m -73.26 -17.06 61.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 66.53 72.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.47 111.71 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.432 HG22 ' CB ' ' A' ' 11' ' ' SER . 8.1 mt -86.74 125.47 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.454 HD12 ' CG1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -139.09 158.05 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.07 -137.49 13.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -169.96 140.73 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.23 140.49 3.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -40.77 106.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.65 -31.21 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.432 ' CB ' HG22 ' A' ' 4' ' ' ILE . 5.6 t -68.75 -46.91 67.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.048 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.36 73.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -73.28 -32.51 64.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -52.38 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.3 -19.12 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -76.11 -49.36 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' CD2' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.25 37.91 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 2.7 pm0 -53.86 -30.43 45.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -65.82 -34.83 79.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 100' ' ' VAL . 11.2 mt -80.42 -31.47 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -60.23 -22.84 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.52 -51.96 20.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 104' ' ' ILE . 45.4 pt -66.75 -44.51 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -60.22 -43.66 93.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -68.93 -54.16 16.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -44.87 -44.35 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CG ' ' CD1' ' A' ' 107' ' ' LEU . 9.5 tp10 -53.37 -52.16 60.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tp -145.48 -61.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.16 -55.2 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -120.03 120.25 35.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -135.5 -166.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 80.0 m-70 -156.25 110.93 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.37 111.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -95.4 122.76 38.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.91 128.77 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.6 mp -107.85 112.54 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.1 mt -85.24 113.43 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.56 138.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -75.68 -164.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -72.48 -52.23 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -27.05 62.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.41 -32.15 62.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 61' ' ' LEU . 3.4 tt -87.12 -28.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.97 -48.63 32.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.02 -49.43 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 1.1 tm? -46.01 -30.16 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 8.0 t-20 -65.55 -56.83 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.13 -23.6 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.91 -25.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.98 -50.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 15.7 mmt180 -71.36 -22.1 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.07 -1.43 55.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -98.02 134.74 40.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.64 98.55 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -174.31 133.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -160.86 168.31 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 22.1 m-20 -60.38 -68.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -137.32 135.74 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.41 130.6 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.6 m -108.74 148.65 30.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -78.24 157.02 78.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' GLY . 3.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 81.5 t80 36.67 32.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -120.49 -145.29 7.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.634 ' CG ' ' CE2' ' A' ' 63' ' ' PHE . 8.7 pt-20 -121.83 120.44 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 tt -107.71 134.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 45.4 m-85 -96.68 139.6 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' HG21 ' A' ' 99' ' ' VAL . 31.1 t -133.98 152.04 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.448 ' N ' HG11 ' A' ' 76' ' ' VAL . 24.7 p -142.99 104.23 5.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 4.2 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -53.37 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.69 -37.78 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.9 t -59.85 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.2 pt-20 -58.96 -47.38 85.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -52.44 -32.8 41.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -79.52 -47.12 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -59.25 -27.96 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -61.07 -40.99 95.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -83.97 -21.29 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -105.5 13.27 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 37.77 32.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' PHE . 53.5 t30 -86.04 156.26 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.403 ' HB ' ' HG2' ' A' ' 93' ' ' GLU . 60.1 p -80.16 97.5 6.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -44.46 -30.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.518 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 5.6 pt-20 -60.65 -48.01 83.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.52 -44.78 77.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -57.26 -41.05 78.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -77.85 -37.15 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -56.4 -29.17 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 126' ' ' GLN . 23.9 mt-10 -66.2 -56.02 13.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.508 HG21 ' CG2' ' A' ' 76' ' ' VAL . 3.2 m -55.49 -23.46 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.475 ' CG1' HD12 ' A' ' 21' ' ' LEU . 10.9 t -74.8 -58.16 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.478 HD11 ' CG2' ' A' ' 130' ' ' VAL . 26.7 pt -68.77 -16.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' GLU . 1.7 t-160 -52.59 -38.25 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -44.8 9.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 24' ' ' ILE . 74.9 mt -66.2 -55.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -50.72 -36.03 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -54.12 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.19 -30.08 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.27 69.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.461 0.172 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.64 -39.64 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -55.9 -56.23 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' NE2' ' OE1' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -61.71 -28.5 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -58.32 -61.65 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 24.3 m-85 -64.6 -38.21 90.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 101' ' ' ILE . 2.2 t -54.63 -55.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 -24.52 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -50.42 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.482 ' CG1' HD21 ' A' ' 97' ' ' LEU . 98.2 t -74.0 -43.07 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -68.02 -13.28 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.92 -26.37 8.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.35 -61.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.618 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.7 m95 -54.51 -22.66 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.07 -51.19 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.6 m -51.0 -21.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.31 76.05 52.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 117.58 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mt -108.76 116.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -133.19 163.84 28.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -169.42 32.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -139.48 136.73 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 139.91 139.82 3.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -38.41 112.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 159.56 -25.85 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 28.2 t -67.92 -55.58 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -27.04 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 1.9 tp -67.78 -34.36 76.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.08 -44.41 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.67 -28.38 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 1.2 m-20 -60.86 -50.14 74.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.41 46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -58.76 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -53.91 -28.84 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -40.69 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.488 ' CD2' HG12 ' A' ' 100' ' ' VAL . 2.2 mt -80.49 -36.73 32.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.68 -21.01 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.7 mt-10 -74.88 -47.7 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.1 pt -77.75 -26.7 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -67.63 -47.82 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 ttmt -64.96 -45.76 84.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -60.4 -43.36 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.94 -55.32 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 tt -147.61 -52.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.92 -41.91 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.71 104.71 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' C ' ' CD2' ' A' ' 33' ' ' HIS . 12.5 p -171.02 162.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 3.1 m-70 -152.86 135.05 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -106.26 133.98 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' CB ' HD23 ' A' ' 5' ' ' LEU . 2.1 m120 -99.9 107.31 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -100.81 129.36 51.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 75' ' ' TYR . 3.2 mp -107.45 112.0 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 7.9 mt -78.95 119.73 22.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 44' ' ' ILE . 25.9 m -151.14 136.25 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -165.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.46 -41.57 63.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -30.21 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.34 -40.11 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 39' ' ' VAL . 2.1 tt -77.16 -34.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -50.12 -46.89 54.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' GLN . 4.5 mt-10 -78.52 -48.75 14.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 75' ' ' TYR . 1.1 tm? -47.48 -34.13 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -66.07 -51.5 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.84 -24.65 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.2 mt-30 -57.19 -22.48 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.34 -51.21 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.34 -24.37 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.94 -2.29 75.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -106.05 145.06 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 1.3 t0 -102.83 94.26 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -175.43 137.11 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.63 28.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -144.4 13.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.5 t0 81.74 -50.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.69 130.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.78 132.5 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -114.58 150.91 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -86.91 137.9 33.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.612 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 1.8 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 8.7 p90 32.77 37.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -100.93 -161.65 27.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 3.3 mt-10 -125.6 132.35 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -126.44 143.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.558 ' CE1' HD11 ' A' ' 37' ' ' ILE . 29.8 m-85 -103.49 139.86 38.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' HG21 ' A' ' 99' ' ' VAL . 14.9 t -130.88 146.88 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 28.8 p -136.97 102.96 9.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.352 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -59.22 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.12 -41.07 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 60.2 t -52.68 -44.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER -56.06 -52.73 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -36.72 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.53 -34.78 67.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.17 47.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtt180 -68.77 -36.25 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.95 -19.09 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.48 8.06 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 52.55 20.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 41.2 t30 -80.61 138.7 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.57 104.63 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.582 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -60.11 -57.43 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.61 -43.43 68.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.2 tt0 -72.51 -22.47 61.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 3.2 tm? -74.64 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 1.3 pp -58.4 -28.62 65.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -55.83 -37.09 68.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 5.6 m -75.04 -26.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.488 HG12 ' CD2' ' A' ' 21' ' ' LEU . 42.0 t -68.4 -57.41 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 130' ' ' VAL . 12.3 pt -62.05 -16.34 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.495 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 22.7 t-80 -51.17 -39.6 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.37 -52.7 4.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.49 -55.21 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -51.75 -43.12 62.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -54.78 -61.22 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.533 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -62.14 -22.64 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.39 66.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.503 0.192 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.62 -56.21 24.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.582 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 12.1 mttp -61.48 -31.74 71.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.86 -33.48 66.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -73.73 -28.11 61.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -58.93 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 29.0 m-85 -68.33 -41.97 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.76 -42.37 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.95 -35.4 80.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -47.38 47.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 97' ' ' LEU . 71.6 t -71.27 -55.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 12.3 t90 -63.14 -14.86 53.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.5 -29.97 25.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -87.57 -55.9 3.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 15.9 m0 -59.49 -20.13 53.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -53.24 -28.54 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.4 m -78.51 -12.2 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -136.41 63.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -75.0 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.72 119.27 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -111.13 105.81 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -120.31 163.93 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.8 -152.65 22.55 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -157.5 146.76 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.09 136.14 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.8 106.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.6 -26.96 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -55.71 -54.41 44.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -42.99 81.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -53.72 -29.49 39.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -77.27 -49.62 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.48 -20.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.8 -50.81 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 41.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -40.38 41.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.93 -22.5 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -35.19 80.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 24' ' ' ILE . 3.0 mt -79.57 -27.59 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mt-10 -60.27 -18.87 52.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.67 -55.28 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 21' ' ' LEU . 17.2 pt -51.42 -50.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 2.4 m -56.79 -37.7 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -62.76 -49.99 72.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -53.01 -44.25 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' OE2' ' CG2' ' A' ' 29' ' ' ILE . 1.2 tm-20 -68.31 -61.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' OE2' ' A' ' 28' ' ' GLU . 12.5 tt -151.27 -53.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 106.09 -20.66 35.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.74 76.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG2' HD23 ' A' ' 107' ' ' LEU . 1.8 p -137.83 173.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 32' ' ' VAL . 29.1 m-70 -153.57 107.46 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.547 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.84 105.5 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.0 m-20 -91.53 116.76 29.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.42 135.46 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 3.5 mp -112.71 107.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLU . 11.6 mt -80.25 120.4 24.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 39' ' ' VAL . 19.9 m -143.85 139.86 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 91.4 p -72.76 -167.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 60.4 tt0 -74.78 -41.25 60.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.459 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.39 -28.97 61.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -80.55 -39.53 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' SER . 1.8 tt -72.13 -48.3 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 7.8 pttp -48.05 -48.06 33.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.55 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 2.4 mt-10 -73.92 -50.2 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 51' ' ' PHE . 1.7 tm? -48.84 -43.17 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.3 t-20 -51.92 -39.66 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -82.45 -24.83 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.82 -22.07 61.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD2' HD12 ' A' ' 47' ' ' LEU . 25.5 m-85 -129.03 -52.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 5.5 tpt180 -70.81 -25.61 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.07 -7.36 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -95.71 140.51 30.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -99.11 95.55 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -173.95 122.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.56 18.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 t -162.54 171.65 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.46 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 76' ' ' VAL . 3.1 p -132.56 139.93 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.72 130.64 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -105.59 135.82 46.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -78.47 133.62 63.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.6 p90 -156.56 38.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.12 -137.38 9.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 6.9 pt-20 -131.17 114.18 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 pp -103.12 152.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.496 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 5.6 m-85 -112.4 135.37 53.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 60' ' ' VAL . 55.0 t -127.31 154.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 80' ' ' ILE . 9.0 t -142.04 98.56 6.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -57.71 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.439 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -69.46 -41.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 89.9 t -52.8 -51.23 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 13.3 tt0 -62.76 -42.02 99.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.53 -49.23 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -68.89 -28.47 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -76.97 -27.97 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.8 mtp180 -63.06 -52.0 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.04 -36.79 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ASN . 9.6 t80 -91.74 12.28 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.57 36.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 16.4 t30 -80.38 156.1 26.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.565 HG22 ' CZ2' ' A' ' 134' ' ' TRP . 25.6 m -74.71 97.38 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -52.53 -28.24 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -72.35 -57.22 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.577 ' HB2' ' CE3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -58.32 -38.96 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -58.12 -52.09 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -27.91 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.485 HD21 ' CG1' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.656 ' HE2' ' NE2' ' A' ' 126' ' ' GLN . 11.8 mt-10 -66.48 -55.44 15.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 100' ' ' VAL . 3.9 m -58.6 -26.84 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.478 HG23 ' CD2' ' A' ' 14' ' ' LEU . 14.1 t -64.83 -57.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 105' ' ' LEU . 42.2 pt -77.81 -15.81 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 8.2 t60 -51.08 -28.62 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.24 -51.93 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 25' ' ' VAL . 49.2 mt -67.23 -54.4 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -48.23 -27.18 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 19.4 t-160 -69.19 -51.42 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.614 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 HD23 ' CG2' ' A' ' 32' ' ' VAL . 2.6 pp -82.57 3.95 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.66 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.3 -62.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.656 ' NE2' ' HE2' ' A' ' 98' ' ' GLU . 14.0 tt0 -77.28 -39.08 49.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -25.57 64.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -57.03 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.01 -40.22 65.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.5 ' CG2' HD11 ' A' ' 101' ' ' ILE . 1.2 t -56.14 -42.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -40.66 71.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG1' HD21 ' A' ' 97' ' ' LEU . 57.1 t -78.72 -39.2 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 94' ' ' LYS . 10.2 t90 -76.62 -13.53 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.2 -30.42 24.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.52 -57.92 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.2 m95 -56.02 -20.64 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.61 -35.42 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.0 m -59.3 -15.14 14.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -117.41 84.43 18.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -75.03 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 33.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 110.62 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mt -104.19 107.14 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -128.49 164.78 22.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 -42.99 3.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 60.37 145.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.53 163.44 11.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' PRO . 1.5 tttt -40.11 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.32 -26.97 2.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 p -56.66 -49.77 74.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -30.2 65.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.601 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -65.61 -29.43 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' CG2' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -73.68 -50.88 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.05 -21.45 3.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.05 -45.72 55.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.12 36.45 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -58.7 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 7.1 mt-10 -53.08 -40.66 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' NZ ' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -54.92 -37.53 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 7.1 mt -80.45 -30.42 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 25' ' ' VAL . 16.8 mt-10 -65.88 -20.16 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.88 -52.35 10.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 129' ' ' TYR . 16.5 pt -61.89 -41.37 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.491 ' CG2' ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.1 -36.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -68.94 -53.03 23.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -55.74 -52.71 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -51.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.56 -53.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LYS . . . 153.03 -29.94 0.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -168.39 130.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG1' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -137.45 -176.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.434 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 25.8 m-70 -135.54 113.84 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.78 115.44 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 73' ' ' GLU . 12.1 m-20 -93.52 96.17 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.46 127.32 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 75' ' ' TYR . 4.5 mp -109.42 107.52 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.18 112.98 24.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 30.3 m -136.95 141.98 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 22.6 p -68.35 -166.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -74.04 -52.84 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.04 -27.05 67.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -73.78 -43.73 58.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 tt -76.67 -34.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.01 -44.99 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 51' ' ' PHE . 1.1 tm? -47.8 -30.41 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.74 -56.31 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -68.64 -23.52 64.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.98 -22.42 49.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.455 ' CD2' HD13 ' A' ' 47' ' ' LEU . 36.8 m-85 -129.85 -54.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.61 -24.23 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.88 -11.94 38.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 52' ' ' ARG . 7.8 mp0 -87.09 145.17 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.33 95.14 6.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -173.87 128.86 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.1 15.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.3 t -155.19 176.2 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -70.69 -54.93 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -151.76 135.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 140.14 30.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 t -126.1 151.11 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -82.34 142.98 47.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 106' ' ' HIS . 2.1 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.72 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 49.11 16.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 70' ' ' VAL . . . -90.1 -139.39 7.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 63' ' ' PHE . 5.2 pt-20 -129.72 133.35 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 0.812 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.38 131.68 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 37' ' ' ILE . 10.3 m-85 -95.54 121.67 37.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 99' ' ' VAL . 72.9 t -105.86 152.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 80' ' ' ILE . 22.4 t -142.47 97.71 6.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -75.04 2.78 6.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -79.97 -55.44 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 4.8 mp -76.06 -26.47 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 68.2 t -71.89 -56.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 11.2 pt-20 -53.36 -45.08 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 4.9 tp10 -59.41 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -79.65 -39.4 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.21 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 5.0 mtp-105 -77.91 -32.24 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.33 -23.82 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -128.12 -78.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 4.7 t-20 165.67 43.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -90.48 150.86 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 p -71.36 97.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.5 t80 -46.14 -37.71 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.521 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 3.1 pt-20 -58.13 -46.12 86.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -65.45 -46.12 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 tm-20 -56.35 -41.45 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 2.3 tm? -78.24 -29.57 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.59 -37.5 85.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 16.8 mt-10 -57.97 -58.74 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 76' ' ' VAL . 19.0 m -57.38 -24.27 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.494 ' CG2' ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -74.05 -57.02 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' LEU . 46.1 pt -70.87 -16.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.0 t60 -52.02 -34.28 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.65 -33.69 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 33.5 mt -80.4 -56.35 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.6 pp -48.82 -50.81 32.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.587 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 23.5 t-160 -59.51 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 mt -85.47 -25.04 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -59.62 -20.37 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.537 0.208 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.42 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -52.89 -39.74 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' A' ' 105' ' ' LEU . 6.8 tt0 -66.34 -37.78 86.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -72.79 -17.87 61.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -55.96 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.602 ' CD1' ' CG2' ' A' ' 24' ' ' ILE . 23.1 m-85 -72.67 -35.91 67.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.2 t -55.53 -51.27 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 mm-40 -69.34 -36.43 76.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -52.18 55.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 97' ' ' LEU . 72.0 t -69.26 -34.76 64.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 11.2 t90 -78.86 -13.71 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.68 -30.34 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -51.96 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.601 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -60.13 -21.17 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 134' ' ' TRP . 3.6 ttp180 -54.86 -38.67 67.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.5 m -63.6 -13.62 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.64 70.3 82.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 121.63 26.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mt -109.4 106.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 37' ' ' ILE . 1.1 pt? -125.19 162.0 25.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.22 -166.92 38.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -142.21 140.44 32.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 150.05 132.06 1.97 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -39.02 108.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.51 -26.94 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t -56.47 -54.16 49.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -44.8 63.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.689 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -52.04 -28.78 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -45.44 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.31 -20.27 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -73.81 -49.29 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 HD21 ' CE3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.6 38.15 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.57 5.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.2 pt-20 -60.89 -29.76 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -55.11 -42.34 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -77.07 -28.48 54.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' C ' HG22 ' A' ' 25' ' ' VAL . 3.8 mt-10 -67.23 -18.73 65.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.7 mt-10 -76.91 -52.68 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.3 pt -52.71 -44.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 ' CG1' HG12 ' A' ' 104' ' ' ILE . 34.8 m -70.23 -48.79 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -56.05 -42.0 75.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -66.98 -61.02 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.6 tp -147.05 -53.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 89.09 48.54 3.79 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.43 57.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -123.45 166.15 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 24.0 m-70 -140.07 102.25 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.27 115.13 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 3.0 m120 -95.07 124.19 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.429 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -102.17 138.03 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -110.82 107.91 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 23.1 mt -81.09 109.23 15.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 31.8 m -142.01 141.15 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 0.5 OUTLIER -83.51 -169.59 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.55 -47.52 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.88 -29.16 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -36.38 54.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 ' CG1' HD11 ' A' ' 61' ' ' LEU . 7.7 tt -80.7 -29.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -51.13 -44.55 61.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.77 -49.86 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 75' ' ' TYR . 1.9 tm? -45.59 -36.75 4.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -70.19 -43.9 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 52.1 mt-30 -70.66 -24.02 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.73 -23.03 49.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -130.29 -53.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -74.37 -17.62 60.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.75 19.38 9.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 15.2 mt-30 -114.29 144.84 42.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.44 94.27 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -175.62 128.39 0.38 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.09 32.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -142.86 12.43 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.6 m-20 73.34 -54.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -143.13 128.06 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.84 140.5 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 m -115.35 146.1 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.48 138.24 41.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 73.5 t80 40.51 34.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.79 -152.38 10.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 35' ' ' ASN . 8.9 pt-20 -123.62 124.13 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' ASN . 20.4 tt -107.18 125.25 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 29.2 m-85 -84.7 131.14 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 99' ' ' VAL . 2.1 t -121.69 154.55 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 44.8 t -149.98 105.65 3.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 108.297 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.16 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.52 -40.05 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 63.8 t -52.86 -49.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.05 -46.27 81.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -60.08 -39.47 86.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -41.55 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -55.36 -27.12 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -70.35 -53.21 17.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 1.8 pt-20 -72.72 -28.77 62.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -101.96 9.75 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.3 t-20 39.86 30.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' PHE . 7.0 t30 -85.71 165.94 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -94.6 97.28 10.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.459 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -49.31 -38.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.665 ' CB ' ' CE2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.44 -50.86 70.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.599 ' HG3' ' CE3' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -70.64 -47.17 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 2.1 tt0 -53.0 -22.52 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.55 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 2.8 tp -86.09 -58.56 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.592 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 2.1 pp -56.48 -26.6 54.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -68.51 -33.88 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 3.0 m -66.49 -24.03 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 21' ' ' LEU . 34.5 t -73.92 -57.51 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 19.6 pt -58.74 -16.83 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -51.73 -43.88 63.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.25 -50.85 5.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 25' ' ' VAL . 86.1 mt -55.57 -53.86 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -55.25 -35.72 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.359 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -51.46 -38.01 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.558 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -26.13 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.94 -18.2 31.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.481 0.181 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.13 -36.73 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -52.56 -42.05 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 17.0 tt0 -54.48 -44.2 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -68.57 -20.92 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 125' ' ' LYS . 4.8 tttp -57.17 -58.96 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 7.4 m-85 -73.24 -34.75 66.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 134' ' ' TRP . 1.0 OUTLIER -59.64 -38.59 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.68 -46.68 86.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -51.73 53.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.432 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 52.4 t -62.02 -37.64 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 8.3 t90 -75.38 -12.77 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.53 -37.68 41.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 5.8 tt0 -87.56 -58.14 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.689 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 1.9 t90 -53.92 -21.2 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.033 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.92 -29.76 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.406 ' C ' ' HD3' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -64.31 -9.54 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.46 69.77 79.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 177.8 8.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' PRO . 14.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 3' ' ' ARG . 4.0 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -107.69 133.78 51.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' CD1' ' CG1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -111.19 162.49 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.94 -150.32 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.47 148.77 12.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.85 147.2 4.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.67 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.57 -34.61 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 90.7 p -55.51 -52.82 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -43.45 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -50.7 -35.63 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.22 -52.82 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 18' ' ' LYS . 13.7 mt-10 -51.84 -20.44 2.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -74.55 -49.04 23.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.87 39.08 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -70.86 -52.49 19.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.83 -25.31 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -64.61 -40.66 95.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.3 mt -79.59 -28.02 41.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 4.9 mt-10 -63.33 -17.11 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.37 -54.43 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 104' ' ' ILE . 20.7 pt -51.79 -47.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.531 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 3.0 m -62.79 -33.33 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.11 -49.96 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -36.94 85.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 107' ' ' LEU . 33.6 tp10 -67.31 -61.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt -148.9 -60.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 141.16 -86.91 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -80.71 97.8 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG23 ' CG1' ' A' ' 25' ' ' VAL . 31.4 m -108.92 -169.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -150.52 98.78 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.58 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 t -117.61 104.15 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 1.9 m-80 -93.96 107.92 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.03 138.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -114.17 110.43 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 9.5 mt -89.19 119.87 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.444 HG23 ' CB ' ' A' ' 44' ' ' ILE . 27.6 m -145.65 139.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 1.4 m -72.4 -167.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.45 -49.09 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.6 -41.44 31.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' CB ' HG23 ' A' ' 39' ' ' VAL . 12.3 tt -74.6 -33.35 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -43.69 43.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.32 -48.74 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -46.28 -28.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.5 t-20 -74.73 -52.86 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 54' ' ' GLN . 44.8 mt-30 -60.63 -24.68 65.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -52.77 -33.03 46.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -127.5 -49.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -71.19 -17.97 62.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.06 17.25 9.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 9.9 mt-30 -114.89 142.68 46.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.17 94.16 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 130.09 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' CB ' HD12 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.02 163.49 35.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -143.27 10.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER 77.66 -51.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 76' ' ' VAL . 3.6 p -145.05 123.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.91 123.11 39.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -128.53 121.44 28.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -97.99 158.95 31.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.543 1.812 . . . . 0.0 110.94 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.556 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 2.9 m-85 46.53 46.82 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 73' ' ' GLU . . . -117.31 -133.8 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 3.2 mt-10 -140.59 160.42 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.4 tt -147.27 123.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 37' ' ' ILE . 64.4 m-85 -83.68 129.74 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' HB ' ' A' ' 99' ' ' VAL . 2.7 t -123.31 151.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 44.2 t -142.6 100.3 5.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.418 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 1.43 7.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -60.5 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.404 HD12 ' CB ' ' A' ' 57' ' ' PRO . 3.1 mp -70.56 -43.77 77.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.3 t -52.67 -42.24 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.05 -52.3 63.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.42 -33.64 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.98 -37.29 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -67.15 -36.61 82.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.38 -20.88 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -112.27 13.02 20.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 40.1 30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' PHE . 43.1 t30 -76.43 171.68 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -86.76 98.31 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 t80 -48.55 -30.83 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.525 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -76.55 -38.11 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.61 -51.69 47.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 mm-40 -54.02 -42.94 69.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.07 -30.35 63.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' HIS . 64.0 mt-10 -58.41 -56.19 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.513 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 34.9 m -59.22 -23.05 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' HD22 ' A' ' 21' ' ' LEU . 2.1 t -75.99 -57.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 21' ' ' LEU . 47.3 pt -68.68 -18.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -55.86 -43.51 77.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.75 93.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.49 HG12 ' CG1' ' A' ' 25' ' ' VAL . 54.6 mt -69.39 -41.52 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -49.53 -39.58 34.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -54.17 -65.84 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' VAL . 4.5 pp -62.46 -29.22 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.18 -18.18 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 127' ' ' LYS . 18.2 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.47 0.176 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.13 -58.54 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -61.0 -25.46 66.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 13.1 tt0 -79.29 -32.49 43.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -78.56 -17.24 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.443 ' CD1' HG21 ' A' ' 24' ' ' ILE . 6.0 m-85 -66.98 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.0 OUTLIER -57.34 -53.66 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.09 -33.29 75.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -51.12 29.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.452 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 97.9 t -71.54 -33.4 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.2 t90 -77.82 -13.9 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.92 -24.64 8.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -87.09 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 6.1 m95 -55.86 -22.86 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -46.89 -42.33 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.3 m -51.92 -20.73 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.85 90.74 28.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -74.98 -161.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 141' ' ' PRO . 2.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.87 112.89 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.63 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -119.26 165.23 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -166.24 30.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.44 137.97 22.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.35 145.71 4.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -39.0 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.02 -31.73 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HD13 ' A' ' 38' ' ' LEU . 4.8 p -55.76 -53.53 55.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.48 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.577 ' CD2' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.7 -34.22 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -76.06 -48.22 21.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.02 -20.44 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -74.06 -51.41 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.588 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -112.93 38.5 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.73 -59.31 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.68 -40.49 88.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.72 -30.05 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 22.0 mt -81.62 -42.65 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 41.2 mt-10 -53.23 -20.71 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.1 mt-10 -68.37 -52.35 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -62.43 -39.42 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -70.5 -45.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 10.4 tttm -67.96 -36.89 80.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.3 tttt -59.25 -52.55 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' HG2' ' CA ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -74.44 -55.96 5.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -173.92 104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -65.62 -160.04 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLY . 7.4 t70 39.14 63.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 107' ' ' LEU . 12.0 m -106.92 -164.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' CD2' ' HD1' ' A' ' 71' ' ' TYR . 35.3 m-70 -151.34 99.43 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -125.03 103.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' CB ' HD22 ' A' ' 5' ' ' LEU . 2.6 m120 -96.3 104.03 15.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 74' ' ' ILE . 2.2 t -96.72 127.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.58 ' CG2' ' CE2' ' A' ' 75' ' ' TYR . 4.1 mp -108.73 110.4 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 39' ' ' VAL . 15.3 mt -84.71 110.97 19.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' A' ' 44' ' ' ILE . 31.4 m -134.94 136.25 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 m -68.39 -164.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.17 -50.61 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -39.83 81.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.51 -42.28 96.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 39' ' ' VAL . 1.8 tt -76.44 -32.66 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -45.2 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 2.6 mt-10 -79.34 -48.53 13.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.2 tm? -45.33 -44.46 11.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ARG . 4.8 t-20 -59.87 -38.77 83.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mt-30 -77.96 -22.66 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.08 -28.0 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -128.02 -55.95 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 mpt_? -69.75 -13.59 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.64 28.23 37.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 12.0 pt20 -123.43 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.45 95.62 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.48 138.65 0.56 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.26 29.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.468 ' CG2' HD11 ' A' ' 61' ' ' LEU . 1.9 t -156.6 174.03 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -67.85 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -150.58 134.67 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.45 132.62 40.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 t -124.34 149.65 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 2.6 m-85 -80.94 142.44 52.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 69.1 t80 46.83 23.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.02 -145.61 7.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.674 ' CG ' ' CE2' ' A' ' 63' ' ' PHE . 13.1 pt-20 -127.4 152.69 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' A' ' 36' ' ' VAL . 1.9 pp -139.86 133.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' A' ' 37' ' ' ILE . 16.5 m-85 -97.47 124.72 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' CG2' ' HB ' ' A' ' 99' ' ' VAL . 2.5 t -117.47 149.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 p -137.52 101.88 8.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HB3' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -52.09 20.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 2.9 mp -75.26 -40.47 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 99.0 t -52.62 -54.22 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -52.77 -48.38 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.1 -40.72 77.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 15.7 m120 -68.22 -34.76 76.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.53 -27.49 45.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.2 mtp180 -70.35 -30.06 66.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.8 pt-20 -80.8 -25.71 37.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -118.45 18.46 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.5 t-20 40.91 28.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 88' ' ' PHE . 39.5 t30 -73.88 154.53 39.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 96.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.06 -48.21 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.615 ' HB3' ' CZ3' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.55 -48.72 76.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.588 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 2.1 ttpp -56.16 -53.16 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.9 -28.12 21.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 13' ' ' LEU . 1.1 tt -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 3.3 mp -48.71 -29.06 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.5 mt-10 -68.59 -55.49 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 5.8 m -59.36 -23.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 21' ' ' LEU . 77.9 t -77.92 -57.74 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.482 HG13 ' CD1' ' A' ' 105' ' ' LEU . 3.2 pt -67.61 -16.75 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -52.77 -47.19 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.7 85.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 24' ' ' ILE . 60.0 mt -65.26 -48.53 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.482 ' CD1' HG13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -51.39 -52.97 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -49.85 -34.77 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.632 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.458 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 2.5 mt -85.9 -24.66 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -72.19 -30.05 64.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.506 0.193 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -65.25 -36.24 83.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -34.68 78.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.83 -30.73 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -78.51 -17.5 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -52.38 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -30.11 65.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -62.6 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.8 mt-10 -59.6 -46.01 90.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.63 -58.46 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 97' ' ' LEU . 75.2 t -65.98 -36.96 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.588 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.9 t90 -65.28 -13.14 57.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 107.985 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.64 -29.81 12.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.5 -58.71 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.615 ' CZ3' ' HB3' ' A' ' 93' ' ' GLU . 8.0 m95 -54.64 -21.56 10.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 2.0 mmm180 -60.54 -17.41 45.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.3 m -79.53 -10.69 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 1.3 p30 -146.52 63.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -74.99 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -120.84 133.21 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.57 142.56 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -148.8 162.74 39.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.18 -166.82 46.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.3 mt-10 -134.01 143.52 48.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.03 129.51 1.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -39.81 105.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.69 -33.36 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.469 ' CA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.67 -52.4 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -66.56 -38.42 87.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.586 HD11 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -54.3 -36.99 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -69.75 -49.68 50.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.37 -27.73 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 12' ' ' LYS . 11.2 m-20 -65.82 -44.49 85.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 38.43 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -58.04 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -30.01 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.97 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 1.2 mt -79.94 -32.71 40.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 5.3 mt-10 -60.43 -16.91 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.6 mt-10 -79.24 -54.15 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 17.3 pt -51.84 -51.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.572 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -52.5 -52.24 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -66.23 -25.22 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.57 -66.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -87.89 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER 179.64 121.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.477 ' O ' ' CG1' ' A' ' 32' ' ' VAL . . . -102.51 -98.85 2.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 27.8 t70 40.78 40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.552 ' C ' ' CD2' ' A' ' 33' ' ' HIS . 33.0 m -125.32 -170.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 24.7 m-70 -152.18 106.64 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.612 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.34 108.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.8 m120 -91.37 116.52 28.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.2 t -101.91 128.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.567 HG23 ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -108.74 115.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' CA ' ' A' ' 11' ' ' SER . 8.6 mt -87.81 114.76 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 32.9 m -136.91 137.59 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 52.6 p -78.69 -165.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.36 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -36.46 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.9 tt -81.75 -31.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -50.4 -47.73 56.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.81 -49.73 12.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 75' ' ' TYR . 1.1 tm? -47.4 -26.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 7.3 t-20 -65.66 -54.62 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.29 -25.76 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -49.2 -27.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 6.7 m-85 -129.03 -45.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -71.46 -23.43 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.44 8.26 62.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 9.7 pt20 -114.36 143.14 45.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.729 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.17 97.83 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' CG ' ' HG3' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -173.68 119.49 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.35 22.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.7 t -156.81 173.49 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' OG1' ' A' ' 58' ' ' THR . 4.8 m-20 -66.81 -65.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 76' ' ' VAL . 4.3 p -134.87 135.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.3 127.29 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 t -95.42 137.81 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.564 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 5.5 t80 -77.84 148.12 75.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -173.87 33.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.56 -137.54 9.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -136.27 114.37 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.802 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.76 140.93 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE2' HG23 ' A' ' 37' ' ' ILE . 20.5 m-85 -103.83 133.83 48.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG12 ' CG2' ' A' ' 99' ' ' VAL . 59.1 t -131.17 151.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 46.7 t -135.99 104.36 9.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -52.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.82 -43.54 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 75.3 t -52.6 -50.66 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.4 -51.95 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.22 -29.99 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.35 -48.67 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -63.51 -27.85 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -67.53 -38.79 84.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -80.94 -25.33 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -107.97 13.99 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.3 t-20 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' PHE . 45.8 t30 -80.96 157.8 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -71.95 98.44 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.1 t80 -47.48 -44.27 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.595 ' HB3' ' CZ3' ' A' ' 137' ' ' TRP . 1.4 pm0 -62.4 -38.65 90.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -66.08 -47.68 73.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.447 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 tt0 -57.12 -43.03 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.53 -31.04 63.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -62.43 -31.03 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 44.9 mt-10 -61.54 -56.7 17.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.499 ' CG2' HG12 ' A' ' 76' ' ' VAL . 4.2 m -61.88 -23.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.9 t -69.75 -57.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 36.9 pt -76.27 -16.37 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 15.3 t-80 -50.46 -28.05 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.35 6.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 76.5 mt -69.47 -44.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -48.93 -44.25 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -53.78 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 29' ' ' ILE . 1.9 tm? -55.54 -31.02 61.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -62.34 -30.25 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.534 0.207 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.05 -57.76 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -41.66 71.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.541 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 16.3 tt0 -67.62 -37.52 82.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -69.19 -25.12 64.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.465 ' HB2' ' CD1' ' A' ' 101' ' ' ILE . 3.9 m-85 -73.39 -38.12 65.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.2 t -61.92 -42.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.89 -37.48 86.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -45.81 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.434 ' CG1' HD22 ' A' ' 97' ' ' LEU . 94.3 t -72.39 -40.56 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.508 ' CB ' ' O ' ' A' ' 130' ' ' VAL . 9.8 t90 -73.78 -13.65 60.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.01 -29.54 20.76 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.75 -59.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.595 ' CZ3' ' HB3' ' A' ' 93' ' ' GLU . 10.9 m95 -54.67 -22.5 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 134' ' ' TRP . 8.2 mmm-85 -52.07 -34.81 45.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.4 m -69.9 -14.53 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.97 69.18 64.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -74.98 -87.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 4.7 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.7 mtt-85 -96.69 114.62 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 mt -102.03 106.28 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -126.76 166.47 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.82 -170.05 33.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.46 132.68 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.14 141.79 3.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -38.96 115.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.73 -37.57 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 42.0 t -57.9 -54.11 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -72.23 -43.2 64.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 5.6 tp -50.17 -32.41 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -75.86 -45.21 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.61 -20.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -72.89 -48.83 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.58 ' CD2' ' CD2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -126.79 47.13 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -75.22 -58.13 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -49.92 -27.66 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -43.59 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 133' ' ' VAL . 1.2 mt -79.46 -28.74 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.501 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 36.4 mt-10 -63.8 -17.85 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.9 mt-10 -79.82 -53.61 6.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.505 ' CD1' HD13 ' A' ' 104' ' ' ILE . 20.0 pt -50.96 -49.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.501 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -57.14 -52.43 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -53.21 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -41.24 -61.61 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.2 tt -151.69 -58.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 104.12 161.98 24.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 62.69 82.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -128.15 -178.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 13.9 m-70 -146.09 99.38 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.0 110.47 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 73' ' ' GLU . 12.4 m-20 -99.08 116.96 32.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.2 126.65 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 75' ' ' TYR . 5.3 mp -105.33 109.25 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 6.1 mt -77.47 123.75 26.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 27.5 m -146.96 142.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 70.6 p -76.12 -165.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CB ' HD21 ' A' ' 79' ' ' LEU . 30.6 tt0 -73.72 -49.26 26.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 -28.2 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.42 -34.07 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 61' ' ' LEU . 12.1 tt -85.55 -25.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -46.63 78.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.84 -48.54 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.5 tm? -45.92 -30.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.5 t-20 -62.11 -54.4 41.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -72.81 -29.17 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -45.43 -29.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -129.77 -45.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 4.9 tpt180 -70.23 -22.6 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.2 3.48 57.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -107.24 136.88 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.11 95.69 9.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.05 130.7 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 4.7 t -164.8 178.42 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' OG1' ' A' ' 58' ' ' THR . 5.7 m-20 -71.86 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.01 136.69 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -96.47 131.08 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -122.16 143.33 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 73' ' ' GLU . 2.3 m-85 -79.37 168.58 25.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' TYR . 1.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 87.9 t80 36.06 39.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.03 -150.2 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -127.17 147.17 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 pt -138.46 151.67 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 37' ' ' ILE . 10.8 m-85 -110.52 131.86 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 99' ' ' VAL . 46.0 t -125.2 152.55 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 80' ' ' ILE . 39.8 t -142.12 103.65 5.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.19 9.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -71.82 -55.3 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 4.5 mp -72.04 -39.13 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 73.3 t -56.27 -45.85 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.58 -50.15 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -39.17 92.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 1.1 m-80 -66.72 -31.19 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.54 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -66.79 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.1 pt-20 -84.91 -17.89 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.0 9.67 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 48.98 23.44 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -78.32 157.16 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.3 p -82.21 97.55 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -43.91 -32.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . 8.8 pt-20 -63.46 -52.89 59.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.92 -31.33 72.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.02 -23.31 58.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -77.18 -58.76 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 2.0 pp -56.96 -26.07 59.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -58.4 -47.05 85.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 76' ' ' VAL . 4.5 m -64.72 -24.9 36.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 21' ' ' LEU . 25.2 t -71.91 -55.06 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.499 ' CD1' HG23 ' A' ' 130' ' ' VAL . 5.9 pt -65.68 -17.19 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 2.6 t-80 -51.93 -40.13 60.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -47.81 7.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.505 HD13 ' CD1' ' A' ' 24' ' ' ILE . 96.8 mt -60.85 -54.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -51.58 -39.81 58.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -50.96 -61.38 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.61 -16.7 63.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -68.91 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.413 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 6.4 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.2 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.4 -61.1 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -54.97 -35.5 64.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.07 -37.96 84.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -17.34 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -57.11 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 7.0 m-85 -73.25 -37.79 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.499 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.98 -46.16 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -37.05 86.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.67 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG2' HD21 ' A' ' 21' ' ' LEU . 55.1 t -74.25 -54.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.568 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 10.9 t90 -59.68 -17.32 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.29 -22.71 15.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.49 -54.89 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.672 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 17.7 m0 -69.56 -20.65 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' TRP . 7.3 ttt180 -52.68 -31.04 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -11.11 38.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.2 99.37 24.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.88 15.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.026 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.58 138.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.58 135.33 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.496 ' CG ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -144.39 163.4 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.35 -161.15 38.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -140.98 144.03 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.37 131.02 2.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.74 111.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 -35.48 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.465 ' CA ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -58.31 -54.3 48.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.006 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -75.32 -42.89 53.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -50.32 -39.67 46.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -65.03 -42.78 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -50.99 -23.84 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 13' ' ' LEU . 87.6 m-20 -60.8 -43.91 97.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD23 ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -121.36 44.52 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -50.52 46.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -23.9 67.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -40.98 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -80.58 -32.66 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.97 -21.55 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.32 -53.19 11.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.9 -42.22 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -59.96 -48.55 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -68.26 -50.42 53.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LYS . 2.9 ttmm -39.75 -60.77 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 107' ' ' LEU . 9.5 tt0 -47.29 -61.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.9 tt -156.7 -47.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 90.89 48.56 3.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -160.22 50.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.545 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 12.4 m -116.53 -176.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 9.7 m-70 -149.91 101.23 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.74 101.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 1.7 m-80 -103.46 104.04 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.46 151.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.575 HG23 ' CE2' ' A' ' 75' ' ' TYR . 3.3 mp -121.03 114.29 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' CA ' ' A' ' 11' ' ' SER . 5.5 mt -86.2 120.47 27.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 20.4 m -145.32 138.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 8.3 m -72.16 -165.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -71.71 -45.78 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.49 -39.15 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.69 -38.79 92.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 61' ' ' LEU . 5.5 tt -79.17 -33.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -51.41 -46.72 62.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 3.8 mt-10 -78.51 -49.63 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 75' ' ' TYR . 2.3 tm? -45.6 -30.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -77.38 -51.67 10.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.5 mt-30 -57.14 -25.94 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -48.48 -35.78 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.96 -46.64 1.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -69.81 -22.04 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.6 16.57 11.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 7.5 mt-30 -115.98 141.72 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 4.1 t0 -96.21 94.32 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -175.42 132.76 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.27 33.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -139.5 8.52 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 4.4 m-20 77.84 -52.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.06 124.83 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.9 132.36 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 135.73 53.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' CE1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -78.88 135.65 59.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' TYR . 3.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.593 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 85.8 t80 35.08 39.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.16 -123.95 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -131.86 159.43 38.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.34 130.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE2' HG23 ' A' ' 37' ' ' ILE . 16.4 m-85 -92.26 135.46 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' HG23 ' A' ' 99' ' ' VAL . 92.3 t -134.51 158.83 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 53.8 t -146.56 103.8 3.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -51.19 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.4 -39.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 83.4 t -52.74 -53.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.53 -51.97 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.16 -38.95 68.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.75 -47.44 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -55.8 -27.1 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -67.94 -40.33 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 4.4 pt-20 -85.5 -28.82 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -103.16 12.36 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.1 t-20 38.8 30.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 88' ' ' PHE . 10.3 t30 -79.53 155.64 28.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.569 HG21 ' CH2' ' A' ' 134' ' ' TRP . 1.1 p -72.9 97.86 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -52.17 -27.36 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mt-10 -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.65 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.36 -54.15 50.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.07 -21.36 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 1.5 tm? -84.28 -59.57 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.65 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 2.0 pp -59.24 -27.51 65.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 94' ' ' LYS . 1.1 pp20? -58.44 -29.69 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.48 HG23 ' CG2' ' A' ' 76' ' ' VAL . 2.6 m -78.56 -28.46 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 14' ' ' LEU . 41.2 t -67.21 -57.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 12.5 pt -61.2 -20.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 1.6 t60 -53.32 -41.64 65.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.17 -51.04 5.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.5 mt -55.6 -54.0 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.7 OUTLIER -50.69 -46.33 58.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -57.03 -34.8 68.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.638 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 71' ' ' TYR . 3.0 mt -81.41 -19.61 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.69 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.551 0.215 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -61.2 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.551 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -57.87 -26.91 62.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 10.5 tt0 -70.14 -32.09 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -19.0 57.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -53.04 41.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.551 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 13.2 m-85 -72.64 -32.44 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.484 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -63.12 -51.77 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -58.38 -24.76 60.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 2.3 mt-10 -82.93 -47.64 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 97' ' ' LEU . 24.5 t -68.76 -52.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.623 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 13.8 t90 -61.93 -15.55 44.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.2 -25.81 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -86.35 -52.6 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.664 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 8.3 m0 -65.96 -19.32 65.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.003 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 134' ' ' TRP . 1.5 ttp180 -47.96 -40.11 21.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.6 m -55.7 -18.12 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.92 90.03 26.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.508 ' CB ' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.77 122.69 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mt -109.81 124.46 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -148.97 165.54 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.48 -38.14 3.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.5 mt-10 59.97 148.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 137.76 156.5 7.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 9.6 tttt -38.48 104.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.27 -27.65 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.097 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 p -58.49 -54.08 51.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -35.33 80.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -60.39 -33.45 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -76.32 -51.71 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.02 -20.67 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.78 -49.89 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 41.71 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -41.64 61.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.72 -33.56 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CD2' HG12 ' A' ' 100' ' ' VAL . 13.3 mt -80.32 -34.67 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -60.29 -20.14 57.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.08 -52.38 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.47 -42.97 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG2' ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.32 -30.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -53.96 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.07 78.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.15 -60.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tt -137.91 -53.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.21 -30.11 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.4 124.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' CG1' ' CG2' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -128.97 178.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.57 103.62 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.96 104.5 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 3' ' ' ARG . 5.2 m-20 -89.91 103.16 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.01 126.87 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 75' ' ' TYR . 2.7 mp -106.46 106.74 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.5 mt -87.0 119.69 27.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 44' ' ' ILE . 32.7 m -146.45 138.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 8.1 m -66.63 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 27.4 tt0 -69.6 -51.17 37.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -39.95 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 40' ' ' SER . 20.2 mm-40 -59.26 -38.74 80.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -82.36 -33.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.18 -47.63 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.9 mt-10 -78.47 -45.21 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 75' ' ' TYR . 1.7 tm? -43.85 -37.13 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t-20 -64.47 -49.72 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -70.57 -23.71 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' GLU . 52.3 mt-30 -60.59 -21.88 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -129.85 -54.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -70.85 -24.75 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.56 -11.97 49.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -85.91 145.59 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.2 95.28 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -173.51 131.62 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 61' ' ' LEU . 1.6 t -154.63 172.64 17.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 58' ' ' THR . 10.5 t0 -64.24 -56.85 11.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.1 p -153.63 138.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -96.21 126.13 41.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -105.9 151.04 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -103.3 149.08 36.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.508 1.793 . . . . 0.0 110.969 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG2' ' NE2' ' A' ' 106' ' ' HIS . 1.5 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' VAL . 0.1 OUTLIER 37.64 39.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.63 -157.34 9.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 16.8 pt-20 -139.27 123.92 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 tt -107.5 133.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 37' ' ' ILE . 25.3 m-85 -96.57 141.02 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' A' ' 99' ' ' VAL . 92.4 t -137.17 148.49 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.443 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 p -137.2 102.23 9.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.34 11.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -73.65 -53.18 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 3.3 mp -74.99 -40.0 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.0 t -55.74 -54.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' ARG . 4.2 tt0 -52.69 -50.24 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.92 -44.12 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 18.2 m120 -64.44 -34.86 79.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -77.91 -28.24 49.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.7 mtp180 -70.36 -27.38 64.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.3 pt-20 -85.21 -25.8 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -117.96 20.49 13.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.77 31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 88' ' ' PHE . 32.3 t30 -74.29 156.81 36.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 93' ' ' GLU . 3.8 m -73.5 97.0 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.26 -40.24 67.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.554 ' CB ' ' CE3' ' A' ' 137' ' ' TRP . 5.0 pt-20 -56.38 -55.64 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 9.6 ttpt -63.3 -36.92 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -40.72 69.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.525 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 9.6 tt -76.36 -43.78 39.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 2.0 mp -50.2 -42.81 52.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 26.3 mt-10 -55.61 -48.48 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 3.0 m -63.94 -24.81 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.493 HG12 ' CD2' ' A' ' 21' ' ' LEU . 65.0 t -78.23 -58.27 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 105' ' ' LEU . 37.3 pt -68.79 -17.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -51.29 -23.92 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.37 -47.28 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 108' ' ' ALA . 6.3 mt -79.85 -48.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.617 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -46.12 -50.69 15.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' NE2' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -63.42 -41.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.602 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.495 ' HG ' ' CE1' ' A' ' 106' ' ' HIS . 1.1 mt -77.8 0.87 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -80.26 -6.11 57.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.477 0.179 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -59.97 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -42.22 63.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.384 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.458 HE22 ' CE1' ' A' ' 102' ' ' HIS . 30.1 tt0 -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -30.36 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -57.37 6.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.37 -37.72 65.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -56.42 -44.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.53 -41.68 83.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -44.11 97.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.409 ' CG1' HD23 ' A' ' 97' ' ' LEU . 96.0 t -76.64 -41.86 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.518 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 8.8 t90 -66.74 -13.58 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 107.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.5 -28.16 14.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -87.68 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.566 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -56.63 -20.82 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 108.047 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -47.66 -38.59 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.0 m -56.67 -17.56 9.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.46 86.85 39.95 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.0 -161.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -146.04 142.31 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -117.28 146.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -149.07 163.34 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.21 -132.88 11.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 pt-20 -166.01 142.67 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.42 139.68 3.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -44.23 125.41 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.73 -30.78 1.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -56.89 -54.29 48.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.784 . . . . 0.0 109.981 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -43.97 91.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -55.27 -30.86 60.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -73.43 -52.45 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -52.26 -22.42 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.3 -51.27 18.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -103.74 32.86 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -70.42 -50.74 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.0 pt-20 -61.91 -35.28 77.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 11.2 tptt -60.67 -41.72 95.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.7 mt -75.84 -27.79 57.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.7 mt-10 -66.6 -19.78 65.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 1.9 mt-10 -78.37 -53.54 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 18.9 pt -51.71 -49.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 3.4 m -61.69 -43.5 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 19.9 tttm -58.29 -40.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -63.27 -52.03 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.31 -60.22 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.76 -59.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 98.38 34.25 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -164.11 64.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.22 171.56 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.74 108.96 6.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.4 t -112.99 105.43 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 2.3 m-20 -95.21 104.19 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.22 129.79 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.687 ' CG2' ' CE2' ' A' ' 75' ' ' TYR . 3.0 mp -101.94 108.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' GLU . 22.7 mt -81.42 121.87 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 44' ' ' ILE . 11.5 m -150.24 142.62 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.452 ' CB ' HD13 ' A' ' 79' ' ' LEU . 50.1 m -81.2 -170.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -67.84 -49.0 64.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -35.48 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.11 75.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CG1' HG22 ' A' ' 39' ' ' VAL . 6.1 tt -84.86 -30.59 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -47.17 45.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.63 -43.52 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 75' ' ' TYR . 1.5 tm? -50.64 -51.59 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 23.7 t-20 -59.58 -33.99 72.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 5.9 mt-30 -64.38 -25.59 68.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.09 -22.94 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.65 -49.89 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -31.72 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.88 -0.88 70.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 16.7 pt20 -133.34 167.86 19.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -86.59 100.87 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 4.9 mmm180 -143.08 104.14 5.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 61' ' ' LEU . 9.6 t -166.43 164.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.74 -48.91 72.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 61' ' ' LEU . 1.5 p -155.97 137.36 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 58' ' ' THR . 0.1 OUTLIER -97.21 127.99 43.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -117.53 144.1 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 2.7 m-30 -78.05 152.86 79.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' GLY . 16.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 85.9 t80 37.22 30.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -116.37 -124.21 3.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 pm0 -142.78 153.12 42.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pt -137.85 129.57 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.687 ' CE2' ' CG2' ' A' ' 37' ' ' ILE . 25.4 m-85 -85.46 119.16 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' HG22 ' A' ' 99' ' ' VAL . 80.1 t -107.15 151.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 51.0 t -149.04 93.72 4.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 108.334 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 3.86 5.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -70.43 -57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.8 -42.3 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.12 -55.96 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.9 -37.16 75.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.71 -36.54 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 43.1 m-80 -76.28 -39.97 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -65.85 -25.57 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -64.55 -54.47 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -75.42 -38.22 59.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -88.91 9.09 26.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 38.53 31.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' PHE . 40.1 t30 -75.23 156.28 35.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.11 97.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.368 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -53.6 -36.85 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.606 ' CB ' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -65.2 -40.54 94.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -71.63 -34.92 70.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.04 -47.22 85.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.559 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 4.0 tt -72.92 -30.67 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -60.55 -27.7 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 102' ' ' HIS . 51.5 mt-10 -70.37 -58.03 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 96' ' ' LEU . 22.7 m -56.4 -23.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 73.2 t -73.64 -58.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 29.4 pt -72.57 -16.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLU . 12.1 t-160 -50.65 -30.73 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.79 -50.52 5.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 77.2 mt -66.31 -54.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -48.37 -47.37 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 1.9 m170 -52.85 -28.41 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -88.2 -28.02 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.08 -17.05 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 127' ' ' LYS . 74.7 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.531 0.205 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.88 -62.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.47 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -59.19 -33.45 70.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 18.8 tt0 -69.74 -38.06 76.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -71.91 -22.06 61.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.51 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.47 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 9.8 m-85 -73.01 -37.19 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.0 OUTLIER -56.32 -40.72 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.06 -51.99 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -53.57 56.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.423 ' CG1' HD22 ' A' ' 97' ' ' LEU . 84.1 t -62.85 -43.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -66.81 -12.87 60.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 107.926 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.77 -32.21 25.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.49 -59.48 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.606 ' CE3' ' CB ' ' A' ' 93' ' ' GLU . 5.5 m95 -54.14 -21.32 8.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.3 OUTLIER -54.61 -32.32 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 m -71.11 -9.03 57.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -143.54 69.53 17.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' N ' ' CD ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.432 0.158 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 3' ' ' ARG . 4.0 mp -105.65 141.08 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.402 ' N ' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -93.95 124.76 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.92 127.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 36' ' ' VAL . 1.1 pt? -141.54 162.91 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.24 -150.01 20.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -163.25 142.55 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 135.56 143.77 4.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.2 tttt -40.09 104.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 176.34 -44.13 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.428 ' N ' HD11 ' A' ' 38' ' ' LEU . 11.8 t -64.57 -54.01 38.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -55.72 -37.18 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD12 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -72.64 -29.98 63.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -74.78 -52.52 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.254 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.06 -20.92 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -73.11 -50.35 23.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.81 37.58 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -68.03 -58.43 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 51.7 mt-10 -57.72 -30.18 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -41.88 83.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.54 ' CD1' ' CG1' ' A' ' 100' ' ' VAL . 7.0 mt -76.36 -34.39 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 1' ' ' MET . 23.9 mt-10 -58.91 -20.36 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.85 -52.68 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 25' ' ' VAL . 42.8 pt -61.66 -45.5 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.402 ' N ' HG13 ' A' ' 24' ' ' ILE . 1.3 p -63.15 -41.64 93.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -66.31 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -57.68 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -44.02 -61.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.8 tt -148.93 -58.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.08 49.35 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -166.22 56.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG23 ' CD2' ' A' ' 107' ' ' LEU . 25.5 t -124.79 163.09 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 11.1 m-70 -142.75 103.17 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.85 113.1 41.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 2.7 m120 -93.68 110.96 22.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.475 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -97.11 135.02 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.584 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.9 mp -112.52 107.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 11' ' ' SER . 14.3 mt -79.7 119.29 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.2 m -144.42 135.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 p -72.11 -165.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -68.08 -52.71 32.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -67.45 -43.65 80.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.8 70.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 HG12 ' CD1' ' A' ' 61' ' ' LEU . 7.1 tt -80.67 -32.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -47.81 45.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.19 -49.89 11.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -45.14 -33.65 2.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.9 t-20 -65.68 -51.62 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.25 -23.19 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.76 -51.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.11 -24.01 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.05 9.13 70.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.411 ' NE2' ' HG2' ' A' ' 52' ' ' ARG . 1.9 pt20 -108.63 150.84 26.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -107.29 96.24 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.11 133.19 0.56 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.29 22.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.7 t -153.78 172.98 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' OG1' ' A' ' 58' ' ' THR . 8.0 t0 -68.64 -54.78 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 76' ' ' VAL . 2.6 p -154.69 137.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.55 128.1 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.2 m -108.21 147.87 30.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.2 129.65 50.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 109.0 2.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt? -170.22 130.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.84 86.71 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 68' ' ' GLU . 4.9 mt-10 -123.07 -177.65 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.6 -76.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 2.7 p -174.85 -60.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 81.1 t80 41.15 36.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -113.44 -165.75 16.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.563 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 9.1 pt-20 -126.56 114.77 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pt -106.97 145.93 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 5.8 m-85 -108.36 142.0 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.502 ' CG2' HG21 ' A' ' 99' ' ' VAL . 75.5 t -131.0 155.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 4.7 p -142.21 101.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.44 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.66 -51.88 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.3 mp -75.22 -36.77 37.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 96.6 t -59.43 -51.22 75.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.76 -41.11 90.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -53.43 -36.25 61.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 24.6 m-80 -78.64 -38.68 39.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -66.91 -26.54 66.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -54.06 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -78.22 -37.08 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 3.2 t80 -84.0 7.17 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER 38.38 37.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -87.12 160.01 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 93' ' ' GLU . 29.4 p -87.29 98.57 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -42.22 -26.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 8.8 pt-20 -63.74 -45.83 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' NZ ' HG13 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -69.55 -51.61 33.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -53.13 -35.46 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.339 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.3 tm? -81.1 -38.24 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -57.42 -33.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 70.3 mt-10 -58.19 -55.74 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.502 HG21 ' CG2' ' A' ' 76' ' ' VAL . 4.9 m -61.47 -27.02 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.54 ' CG1' ' CD1' ' A' ' 21' ' ' LEU . 44.1 t -68.72 -57.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' LEU . 38.4 pt -74.18 -16.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 106' ' ' HIS . 13.3 t-80 -52.12 -28.6 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.18 6.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.0 mt -73.86 -53.92 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -48.19 -27.42 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 102' ' ' HIS . 3.1 m170 -64.32 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.475 ' CD2' HG23 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.53 -1.27 26.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -66.78 -30.29 70.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 110' ' ' TYR . . . -142.82 -104.05 0.49 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.8 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -36.27 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.38 95.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 112' ' ' HIS . 1.0 OUTLIER 65.52 52.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.562 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -142.79 -74.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.8 ' CE1' ' CE2' ' A' ' 110' ' ' TYR . 0.1 OUTLIER 39.3 41.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -45.35 147.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ASN . 41.0 m-20 42.26 52.01 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.06 -76.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' ASP . 4.1 p-10 -142.36 161.43 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 t -122.45 176.74 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -59.51 -26.61 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -70.4 -48.83 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.551 ' HG2' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -64.13 -29.17 70.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -68.55 -57.14 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -39.95 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -26.29 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.452 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 27.5 tt0 -81.68 -34.32 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -17.29 56.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -60.71 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -66.19 -31.94 73.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.473 ' CG2' HD12 ' A' ' 101' ' ' ILE . 1.2 t -59.35 -54.69 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.429 ' N ' HG11 ' A' ' 130' ' ' VAL . 7.8 pt-20 -67.65 -34.13 76.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -68.36 -48.65 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.83 -37.45 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.473 ' CD1' ' O ' ' A' ' 134' ' ' TRP . 11.5 t90 -74.47 -14.76 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 108.004 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.98 -23.98 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -87.28 -58.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.569 ' CZ2' HD12 ' A' ' 13' ' ' LEU . 3.0 m0 -57.44 -21.34 36.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.058 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -33.5 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.7 m -65.29 -12.1 48.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.79 70.4 81.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 143' ' ' GLU . 18.3 Cg_endo -75.04 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 m 68.8 -65.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 141' ' ' PRO . 2.0 mm-40 66.78 13.63 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.55 170.14 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 p -71.71 -66.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 28.9 t0 44.5 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 61.31 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -145.52 -83.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -47.63 135.11 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' HE2' ' CA ' ' A' ' 30' ' ' GLY . 44.6 mtm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.539 0.209 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.26 133.22 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.05 127.51 52.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.99 108.52 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' CG ' HG13 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -128.11 159.26 35.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.14 -169.33 34.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mt-10 -138.83 142.89 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.06 134.42 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.8 ttpt -39.82 112.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.48 -28.23 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 38' ' ' LEU . 13.6 t -57.6 -48.9 78.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -33.39 69.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -63.94 -29.47 70.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.38 -53.32 8.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.36 -20.61 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.25 -37.21 66.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.559 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.6 OUTLIER -122.43 34.76 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -57.21 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.96 -24.44 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -34.9 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 14' ' ' LEU . 6.5 mt -79.75 -32.72 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.1 -22.81 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.5 -49.45 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.63 -34.81 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -65.14 -49.67 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -69.06 -38.86 79.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -52.21 -58.29 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -69.05 -59.72 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 5.1 tp -174.19 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' CA ' ' HE2' ' A' ' 1' ' ' MET . . . -67.12 70.65 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.2 t70 -164.98 53.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.76 178.02 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -150.15 104.36 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.18 114.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -107.83 137.29 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.401 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 4.2 t -112.31 142.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.562 HG23 ' CD2' ' A' ' 75' ' ' TYR . 3.0 mp -116.52 107.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 11' ' ' SER . 11.8 mt -79.02 116.29 19.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.405 ' O ' HG21 ' A' ' 39' ' ' VAL . 33.0 m -142.6 136.69 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -76.66 -170.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.519 ' N ' ' OG ' ' A' ' 40' ' ' SER . 16.9 tt0 -59.81 -52.61 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.75 -49.55 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.79 -39.48 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CG1' HD13 ' A' ' 61' ' ' LEU . 1.5 tt -82.89 -31.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -49.3 -47.86 46.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.3 mt-10 -79.45 -49.28 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.533 HD12 ' CD2' ' A' ' 75' ' ' TYR . 2.0 tm? -45.29 -34.33 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.4 t-20 -66.35 -44.57 82.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.01 -23.53 59.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.24 -31.37 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -127.36 -53.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -69.55 -17.74 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.45 16.99 11.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.55 135.62 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -92.95 94.54 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -174.97 132.92 0.47 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.1 t -156.32 173.9 16.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 58' ' ' THR . 25.8 m-20 -73.01 -49.02 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.71 136.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.08 126.52 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -90.9 141.11 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 6.4 t80 -79.59 135.74 56.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -168.9 35.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -56.89 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LEU . 2.0 mt-10 -156.19 -168.0 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -77.71 54.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.15 111.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 72' ' ' GLY . 9.0 p -105.17 5.75 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.602 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -67.73 60.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -111.87 -140.43 8.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.576 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 9.5 pt-20 -133.77 113.75 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.52 145.03 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 37' ' ' ILE . 18.6 m-85 -102.77 120.47 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG1' HG22 ' A' ' 99' ' ' VAL . 42.7 t -111.23 152.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 1.8 p -140.62 98.19 7.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.1 Cg_endo -75.0 2.49 6.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -81.57 -47.62 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.13 -25.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 42.6 t -76.58 -54.79 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 11.8 pt-20 -48.49 -49.5 35.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 10.6 pt-20 -59.6 -29.0 67.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.82 -34.51 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.03 -28.0 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.6 pt-20 -76.35 -24.61 54.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -117.2 13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 45.69 29.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 85' ' ' ALA . 46.5 t30 -74.59 156.81 36.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 94' ' ' LYS . 1.5 m -72.31 97.63 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.03 -48.29 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -56.25 -42.22 77.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -64.38 -47.31 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 2.1 mm-40 -57.57 -44.25 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -65.21 -29.32 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 102' ' ' HIS . 47.4 mt-10 -66.05 -57.77 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.492 HG22 ' CG1' ' A' ' 76' ' ' VAL . 31.4 m -56.84 -24.04 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.461 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.5 t -71.09 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.491 HD13 ' CG2' ' A' ' 130' ' ' VAL . 21.5 pt -72.72 -17.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 8.5 t-80 -51.58 -27.98 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -41.78 13.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 108' ' ' ALA . 15.9 mt -79.44 -54.1 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.48 -32.3 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 102' ' ' HIS . 1.9 m-70 -61.43 -56.69 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.544 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' HB2' ' CG1' ' A' ' 70' ' ' VAL . 3.2 tt -85.08 8.29 18.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -82.44 -29.87 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' TYR . . . -126.47 -101.11 1.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.624 ' CD1' ' C ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -37.05 148.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 111.028 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.43 -23.52 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 112' ' ' HIS . 25.6 p-80 -152.65 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 64.81 138.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -141.67 34.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 3.7 tt0 81.77 83.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 118' ' ' ASN . 0.1 OUTLIER -61.04 -45.11 96.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 119' ' ' SER . 1.6 t-20 65.98 164.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 118' ' ' ASN . 0.7 OUTLIER 163.04 120.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -73.75 -29.89 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.6 -43.45 89.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 126' ' ' GLN . 21.7 mmt -70.19 -46.87 63.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -53.99 -53.18 56.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.21 -61.11 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 1.5 mttt -56.52 -24.46 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 122' ' ' MET . 14.7 tt0 -77.03 -37.27 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -17.89 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -61.03 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 16.3 m-85 -65.84 -33.46 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.498 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -57.23 -55.13 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.32 -28.24 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -52.7 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 97' ' ' LEU . 99.5 t -71.71 -30.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 10.6 t90 -78.87 -13.78 59.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.62 -31.0 21.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.11 -57.52 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.5 m95 -55.07 -21.62 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.98 -43.44 73.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -17.28 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.87 77.22 70.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.425 1.75 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.84 -60.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 -178.32 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.56 -27.11 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.13 148.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.65 108.54 1.99 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 63.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -149.43 -88.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 53.26 175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LYS . 1.4 ptm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' N ' ' HE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.499 0.19 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.39 156.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.52 126.94 41.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -105.2 135.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 36' ' ' VAL . 0.7 OUTLIER -148.68 160.55 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.28 -161.08 35.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 3.4 mt-10 -141.8 141.71 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.75 136.99 3.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.24 107.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 -30.23 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -55.6 -53.61 54.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -71.84 -43.01 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.587 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -52.03 -31.33 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.6 -52.67 8.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.33 -20.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -71.89 -40.06 69.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.94 36.68 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -57.37 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.9 -30.06 71.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -57.14 -37.14 71.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 1.4 mt -81.35 -30.39 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HE2' ' N ' ' A' ' 1' ' ' MET . 11.7 mt-10 -60.78 -21.08 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 mt-10 -72.11 -50.15 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.472 HD11 ' CG2' ' A' ' 104' ' ' ILE . 31.6 pt -64.45 -42.39 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.83 -48.33 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 43.1 tttt -67.37 -33.34 75.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.4 tttt -61.58 -43.74 98.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 5.0 tp10 -78.38 1.89 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 28' ' ' GLU . 10.1 tp 45.01 52.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -126.17 89.52 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.26 97.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -132.64 -166.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -150.54 120.55 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.5 t -105.83 111.01 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -91.57 108.99 20.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 2.4 t -98.73 132.03 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.676 ' CG2' ' CE2' ' A' ' 75' ' ' TYR . 2.7 mp -110.55 108.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 7.2 mt -79.62 121.78 25.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 77' ' ' CYS . 34.0 m -149.6 141.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.459 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 3.6 p -78.34 -164.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -74.1 -38.38 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -75.12 -38.3 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.33 -38.9 74.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 40' ' ' SER . 1.3 tt -76.38 -32.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -47.13 57.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.1 mt-10 -79.44 -49.33 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -45.57 -40.73 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.9 t-20 -62.22 -44.15 97.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 22.2 mt-30 -74.0 -23.9 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' GLU . 47.9 mt-30 -62.4 -20.08 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 47' ' ' LEU . 23.2 m-85 -130.55 -54.58 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' ASN . 13.6 mmt180 -74.47 -22.1 59.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 49' ' ' GLN . . . 62.45 11.95 37.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 6.4 mt-30 -106.77 136.39 46.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -90.84 95.43 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -174.58 128.34 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.467 ' CG2' HD11 ' A' ' 61' ' ' LEU . 2.0 t -155.09 171.46 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.5 -52.78 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.38 134.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 58' ' ' THR . 0.0 OUTLIER -94.83 128.97 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 m -111.21 141.44 44.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -84.82 140.19 37.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.11 2.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt? -170.39 114.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.66 87.84 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.1 -174.62 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -38.96 -55.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.9 -73.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 10.1 p -168.78 -55.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 19.0 t80 38.23 29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.57 -155.09 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 1.1 mt-10 -121.86 119.13 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 34.6 pt -107.1 143.08 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.676 ' CE2' ' CG2' ' A' ' 37' ' ' ILE . 20.0 m-85 -103.55 128.26 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG1' ' CG2' ' A' ' 99' ' ' VAL . 24.5 t -123.06 149.33 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.427 ' N ' HG11 ' A' ' 76' ' ' VAL . 5.7 p -138.39 104.0 7.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 1.55 7.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -57.36 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.79 -33.25 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 54.3 t -63.93 -50.68 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' HG2' ' CG ' ' A' ' 92' ' ' PHE . 44.2 mt-10 -65.32 -42.64 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.39 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.89 -52.3 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -56.61 -28.38 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 1.1 mtm105 -61.13 -45.0 96.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.56 -22.12 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -101.19 11.0 40.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.4 t-20 39.86 29.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' PHE . 48.5 t30 -81.66 156.32 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.434 ' OG1' ' CB ' ' A' ' 94' ' ' LYS . 19.0 p -74.76 97.61 3.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -48.22 -26.82 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 4.0 pt-20 -69.04 -43.67 74.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -68.76 -51.37 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.3 tm-20 -53.49 -36.09 61.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 99' ' ' VAL . 1.7 tm? -80.81 -35.74 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' HIS . 17.0 mt-10 -62.36 -55.21 30.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.488 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 1.7 m -55.47 -25.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 14' ' ' LEU . 73.4 t -76.07 -57.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 105' ' ' LEU . 2.4 pt -66.95 -16.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.601 ' O ' ' CE1' ' A' ' 106' ' ' HIS . 11.7 t60 -51.86 -39.02 58.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.08 62.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.472 ' CG2' HD11 ' A' ' 24' ' ' ILE . 66.4 mt -80.02 -25.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -55.35 -44.9 76.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 3.7 m-70 -58.42 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.01 -23.8 62.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.06 -30.47 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.47 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 163.66 -175.88 39.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER 67.73 139.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 111.004 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.56 71.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -175.22 -63.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.567 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 179.72 116.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.463 ' CD1' ' CZ ' ' A' ' 110' ' ' TYR . 20.1 p90 -116.53 23.99 11.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.79 -51.71 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.13 143.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.59 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -173.96 165.97 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.14 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -79.26 -41.13 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.237 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -65.7 -33.64 76.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.08 -36.74 82.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -52.47 -30.81 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 4.2 mttp -64.13 -29.88 70.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.53 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -17.89 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -72.39 -55.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 12.0 m-85 -69.59 -29.97 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -60.23 -55.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 135' ' ' GLY . 8.6 pt-20 -67.41 -34.13 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.9 OUTLIER -65.19 -47.68 76.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.413 ' CG1' HD23 ' A' ' 97' ' ' LEU . 72.7 t -79.8 -31.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.55 ' CB ' ' O ' ' A' ' 130' ' ' VAL . 9.3 t90 -79.49 -12.88 59.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -49.77 -29.04 12.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.92 -57.07 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.587 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.9 m95 -56.57 -20.3 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.34 -28.33 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 m -69.47 -7.45 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.36 79.64 24.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.04 -87.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 61.0 p -36.92 140.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.11 -20.94 12.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.341 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.77 -61.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -178.25 171.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.7 t0 176.92 143.39 0.24 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 144.27 64.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 95.24 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HE2' ' CG1' ' A' ' 25' ' ' VAL . 8.3 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.435 ' CD1' ' N ' ' A' ' 2' ' ' ILE . 1.2 mp -102.18 155.62 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -141.68 127.8 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.411 HG21 ' CB ' ' A' ' 11' ' ' SER . 8.8 mt -89.92 100.72 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.45 139.67 30.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.98 -143.31 46.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.61 157.12 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.88 157.57 7.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -40.09 104.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.92 -30.63 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.163 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' CB ' HG21 ' A' ' 4' ' ' ILE . 2.1 t -56.27 -54.77 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -69.39 -43.2 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -51.43 -31.8 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.03 -53.15 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.22 -20.53 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.69 -51.21 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD22 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.36 35.66 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -70.79 -50.71 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -61.18 -31.37 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 4.3 tptt -59.64 -37.7 79.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 3.9 mt -79.05 -28.7 43.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 7.5 mt-10 -64.04 -20.95 66.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.32 -52.42 10.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 104' ' ' ILE . 39.5 pt -59.83 -46.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' ' HE2' ' A' ' 1' ' ' MET . 1.2 p -64.85 -42.52 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 18.8 tttt -64.92 -35.91 82.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -64.46 -42.54 95.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.06 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.4 tt -140.27 -62.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 106.0 32.23 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -169.53 92.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -140.92 -169.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -151.83 108.6 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.582 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.68 102.1 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.8 m120 -102.09 103.03 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.6 133.8 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 75' ' ' TYR . 2.4 mp -92.34 107.6 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -81.82 113.58 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.29 136.77 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 p -71.54 -165.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -73.17 -41.63 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -43.89 56.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.64 -37.59 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 tt -80.33 -33.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -47.93 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.83 -34.45 45.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD13 ' CZ ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -56.5 -53.0 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.87 -44.84 78.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' OE1' ' CA ' ' A' ' 54' ' ' GLN . 5.5 mm-40 -50.31 -32.2 16.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -53.65 -28.08 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -119.61 -47.69 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -69.69 -30.24 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.76 3.56 55.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CA ' ' OE1' ' A' ' 49' ' ' GLN . 17.6 pt20 -138.34 161.22 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.28 104.23 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 5.7 mmm180 -142.17 104.63 5.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.524 ' CG2' ' CD1' ' A' ' 61' ' ' LEU . 1.9 t -167.53 171.4 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -74.68 -47.55 31.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.56 131.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.524 ' CD1' ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.37 138.79 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 t -106.91 139.84 40.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 4.8 t80 -80.15 142.1 54.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.0 109.0 2.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -172.61 36.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 2.5 tpt -41.31 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 15.6 mm-40 -135.22 -169.92 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 2.1 tt0 -34.5 -50.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 106' ' ' HIS . 0.0 OUTLIER -141.29 -69.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.4 p 178.51 -62.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CG ' ' O ' ' A' ' 70' ' ' VAL . 42.0 p90 37.9 29.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -120.17 -111.31 2.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 4.5 pt-20 -146.42 160.63 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.56 132.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 37' ' ' ILE . 46.8 m-85 -83.08 119.02 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.522 ' CG1' HG22 ' A' ' 99' ' ' VAL . 33.1 t -112.79 146.24 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 5.1 p -145.28 96.35 4.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.98 0.07 9.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.38 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.2 mp -76.07 -35.36 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 86.0 t -54.12 -52.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.6 -49.47 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -35.99 71.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 19.2 m120 -77.92 -30.83 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 90' ' ' ASN . . . -76.72 -36.33 57.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 -26.73 48.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.59 -24.92 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -135.06 -75.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER 169.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 3.4 t30 -89.03 134.8 33.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.7 p -73.75 97.93 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -40.69 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 13.8 pt-20 -59.23 -53.48 57.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 4.1 ttpt -63.59 -52.22 61.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.98 -30.43 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 13' ' ' LEU . 5.6 tt -81.6 -41.43 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 HD21 ' CG1' ' A' ' 133' ' ' VAL . 1.6 mp -53.86 -29.23 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 102' ' ' HIS . 76.6 mt-10 -63.98 -52.52 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' CG1' ' A' ' 76' ' ' VAL . 27.5 m -62.05 -25.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 21' ' ' LEU . 2.3 t -75.92 -57.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 130' ' ' VAL . 18.5 pt -70.8 -16.47 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.486 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 68.4 t60 -51.93 -30.18 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.64 -49.81 5.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 60.3 mt -66.54 -52.64 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.13 -32.63 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CD2' ' CZ ' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -59.4 -57.45 12.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -11.39 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -65.8 -22.42 66.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.575 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 161.43 173.6 30.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.615 ' CD1' ' C ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER 61.01 139.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 110.994 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -121.61 -50.31 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 163.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.412 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 5.8 tt0 -87.76 113.39 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -119.65 68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -52.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.51 -67.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.56 171.96 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.1 p -160.07 88.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -75.68 -42.36 51.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -60.56 -43.01 97.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 30.9 tpp -59.55 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -38.5 57.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.78 -54.39 27.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -61.21 -24.37 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.3 -34.79 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -18.63 51.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.99 -53.38 17.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.537 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 2.9 m-85 -72.91 -37.34 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.7 t -55.26 -55.34 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.13 -31.0 70.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -54.36 8.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.503 ' CG1' HD21 ' A' ' 97' ' ' LEU . 42.8 t -68.91 -27.13 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.502 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.4 t90 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.94 -26.7 11.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.66 -58.49 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.573 ' CD1' HD22 ' A' ' 17' ' ' LEU . 4.8 m95 -58.57 -21.14 52.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.5 mmm180 -56.39 -29.32 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -4.51 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -141.88 63.87 16.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.3 Cg_endo -75.01 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER 38.74 79.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -47.26 142.78 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.5 t70 44.48 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 p -129.69 168.37 16.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 64.94 104.68 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -170.38 78.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.98 -178.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.662 ' N ' ' HE2' ' A' ' 22' ' ' GLU . 5.7 ptt? . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.515 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 2' ' ' ILE . 4.9 mp -96.07 156.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -130.14 146.54 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.53 157.02 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' VAL . 8.7 mt -130.9 157.97 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.4 -129.95 33.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -163.64 161.53 23.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 144.83 139.75 3.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -38.85 104.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.38 -27.77 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.41 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 3.9 t -60.49 -53.52 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.42 63.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.628 HD12 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -68.1 -30.06 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.05 -50.71 12.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -51.55 -20.72 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -73.6 -44.85 56.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.28 42.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -54.03 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.14 -35.66 79.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.25 -35.92 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 8.7 mt -80.13 -28.61 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.662 ' HE2' ' N ' ' A' ' 1' ' ' MET . 1.4 mt-10 -64.56 -19.48 65.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -77.07 -54.02 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -51.71 -46.97 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 104' ' ' ILE . 22.7 m -61.42 -43.99 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -67.92 -27.81 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 6.7 tttp -70.39 -43.78 69.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -96.78 13.61 27.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.4 tp 44.13 55.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.86 -59.81 2.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 49.5 80.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 33' ' ' HIS . 4.9 m -148.27 -161.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' N ' HG23 ' A' ' 32' ' ' VAL . 62.6 m-70 -138.1 115.33 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.55 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.01 101.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -95.62 99.9 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.1 m -87.39 141.65 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.1 mp -104.64 108.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.2 mt -80.67 118.09 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 ' CG2' HD11 ' A' ' 44' ' ' ILE . 13.9 m -152.33 140.26 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.427 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 33.3 p -73.91 -164.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -73.02 -43.26 62.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -27.69 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' HB2' ' N ' ' A' ' 40' ' ' SER . 45.1 mt-10 -74.83 -42.59 57.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 HD11 ' CG2' ' A' ' 39' ' ' VAL . 2.0 tp -76.44 -30.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.07 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.26 -46.28 20.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.63 -53.38 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 5.0 t-20 -56.07 -27.29 52.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -24.82 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.4 -22.02 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -129.87 -53.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 6.2 tpt85 -71.23 -24.15 62.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.28 13.22 35.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.06 140.75 46.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.13 95.32 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.56 128.55 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.512 ' CG2' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -144.39 13.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.5 m-20 76.32 -52.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 75' ' ' TYR . 3.3 p -154.87 130.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.512 ' CD1' ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.39 133.34 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 t -115.3 149.99 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -85.02 145.67 43.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 107.04 2.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.6 pt? -177.35 45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.73 78.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 8.7 mt-10 -129.93 -171.85 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -85.53 19.97 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -169.22 104.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 11.4 p -76.61 -55.87 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 6.9 p90 31.84 37.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -122.32 -138.89 5.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -129.7 159.1 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.493 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 12.1 tt -149.35 117.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.595 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 85.2 m-85 -76.56 134.51 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 99' ' ' VAL . 47.7 t -125.1 149.46 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -142.21 93.5 7.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.331 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 1.81 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -57.22 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.54 -41.66 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 92.3 t -53.37 -53.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 10.7 tt0 -56.02 -45.05 79.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -54.71 -44.3 73.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.51 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.09 -26.89 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 10.9 mtt180 -72.0 -39.68 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.6 -9.65 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -128.99 14.44 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 38.83 36.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -73.96 171.9 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.521 HG22 ' CZ2' ' A' ' 134' ' ' TRP . 18.0 m -86.37 97.36 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -50.12 -36.68 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 1.1 mp0 -66.48 -46.88 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.4 OUTLIER -64.87 -47.98 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.494 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.8 -43.53 69.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.55 -34.45 65.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -59.71 -30.45 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' HIS . 27.6 mt-10 -60.56 -56.72 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 76' ' ' VAL . 2.9 m -61.46 -24.21 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -68.92 -52.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 105' ' ' LEU . 49.5 pt -80.69 -16.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.493 ' CD2' ' CD1' ' A' ' 74' ' ' ILE . 12.9 t60 -51.42 -28.73 13.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.89 -51.14 4.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 25' ' ' VAL . 81.4 mt -68.98 -54.93 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.7 -24.19 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HD2' ' CD1' ' A' ' 110' ' ' TYR . 2.4 t-160 -58.46 -67.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.54 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -19.76 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -56.66 -22.45 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.2 -121.91 0.73 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.616 ' CE1' ' SD ' ' A' ' 122' ' ' MET . 12.0 m-85 56.45 92.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.5 t0 178.35 95.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.3 m170 53.75 46.73 25.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.32 -48.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.33 -50.48 64.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.44 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -175.89 179.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.85 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.71 -48.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.89 137.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -45.91 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -47.47 76.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.616 ' SD ' ' CE1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -69.84 -48.05 60.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -56.87 -38.88 73.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.95 -54.26 28.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.472 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 5.0 mtmm -55.94 -24.36 37.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.478 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 15.0 tt0 -75.92 -38.9 57.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -67.94 -34.81 77.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -53.18 -50.9 63.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 2.7 m-85 -72.76 -45.12 60.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.46 -45.6 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.1 mt-10 -67.38 -42.2 83.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.51 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 97' ' ' LEU . 92.2 t -71.85 -39.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.9 t90 -75.95 -13.19 60.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.25 -33.31 23.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.58 -54.02 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.628 ' CZ2' HD12 ' A' ' 13' ' ' LEU . 5.2 m95 -56.89 -20.14 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.31 -35.32 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -15.74 19.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.76 83.4 14.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.24 58.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.54 15.27 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -166.63 135.42 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -101.63 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.78 101.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.85 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 166.19 55.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.26 112.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.523 0.202 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.22 155.12 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -146.26 148.21 32.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.91 149.63 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB2' HD11 ' A' ' 37' ' ' ILE . 17.9 mt -129.38 163.06 26.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 54.13 -133.26 45.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.4 156.94 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.81 136.98 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -38.27 104.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.93 -28.34 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.84 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -43.39 81.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -49.64 -33.71 16.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -76.0 -47.75 23.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.18 -24.66 7.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -68.87 -47.86 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.34 41.26 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -47.85 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.82 -34.38 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -35.99 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 4.5 mt -79.42 -27.53 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' C ' HG23 ' A' ' 25' ' ' VAL . 3.6 mt-10 -66.59 -19.81 65.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -53.24 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 17.6 pt -51.41 -45.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 104' ' ' ILE . 34.8 m -67.17 -48.51 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 25' ' ' VAL . 1.4 tppt? -57.17 -41.48 79.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -60.07 -48.89 79.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.01 -61.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.1 tp -147.95 -57.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 90.37 54.77 2.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -169.61 66.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.07 160.57 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.25 101.72 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 t -120.21 105.36 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' CB ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -99.27 138.9 35.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 2.8 t -108.72 137.57 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.595 ' N ' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -99.63 106.37 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.2 108.31 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG2' HD11 ' A' ' 44' ' ' ILE . 14.8 m -144.44 137.21 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 2.2 p -67.67 -163.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 22.8 tt0 -71.81 -49.79 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -35.29 74.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 mt-10 -60.94 -37.47 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -83.29 -30.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -48.39 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 6.0 mt-10 -80.64 -49.13 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -46.47 -35.31 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 10.4 t-20 -57.46 -55.04 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 7.9 pt20 -69.51 -27.31 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -56.41 -20.9 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.437 ' CD1' HD11 ' A' ' 47' ' ' LEU . 4.7 m-85 -129.82 -51.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ASN . 19.9 mmt85 -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.6 -1.27 62.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.12 152.67 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -102.35 100.69 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -172.89 126.49 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 174.29 13.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.412 ' CG2' ' CD1' ' A' ' 61' ' ' LEU . 3.6 t -166.14 170.86 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -59.01 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 75' ' ' TYR . 2.3 p -145.39 136.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -96.46 129.4 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 m -101.93 130.35 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 12.1 t80 -83.58 141.92 42.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.99 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 63' ' ' PHE . 57.2 mt -131.45 58.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.436 ' CE ' ' HG2' ' A' ' 113' ' ' GLU . 12.8 mmt -71.84 57.02 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' GLU . 9.9 mp0 -113.26 -171.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -36.03 -50.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 m-20 -145.37 -89.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 69' ' ' ASP . 1.4 t -173.35 130.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.6 p90 -163.23 45.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.67 -113.32 2.44 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -157.7 160.19 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.422 ' C ' HG12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -137.17 139.99 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.57 ' CE1' HD12 ' A' ' 47' ' ' LEU . 71.0 m-85 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 99' ' ' VAL . 44.2 t -130.33 151.03 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.42 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 1.9 m -145.87 101.08 4.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.51 -53.59 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 2.7 mp -75.05 -39.42 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 62.1 t -53.56 -49.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 15.8 mt-10 -68.87 -48.15 64.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -44.27 73.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -37.73 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -67.07 -28.47 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtm180 -67.21 -35.5 79.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -84.68 -21.87 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.3 t80 -112.04 15.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.2 t-20 39.56 30.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' PHE . 14.2 t30 -75.82 158.4 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.404 ' CG2' ' HG2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -82.52 97.9 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -52.59 -24.83 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.601 ' CB ' ' CE3' ' A' ' 137' ' ' TRP . 10.5 pt-20 -73.91 -50.41 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 32.5 ttpt -66.37 -42.99 87.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 8.7 tt0 -54.71 -43.21 72.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 13' ' ' LEU . 9.1 tt -74.18 -42.5 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -51.35 -32.4 25.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' HIS . 24.3 mt-10 -62.27 -52.84 62.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG23 ' CG1' ' A' ' 76' ' ' VAL . 10.6 m -63.18 -25.68 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 21' ' ' LEU . 44.6 t -71.05 -56.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.485 HD11 ' CG2' ' A' ' 130' ' ' VAL . 20.3 pt -75.75 -15.44 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' GLU . 67.0 t60 -51.08 -33.12 24.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -52.83 4.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 68.0 mt -61.95 -52.67 57.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.54 -36.28 22.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.6 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -60.16 -47.45 85.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.36 -16.91 55.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -66.96 -26.56 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.8 153.69 9.0 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -166.81 -173.76 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 112' ' ' HIS . 6.5 m-20 -79.67 62.34 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER 39.29 77.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.537 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.436 ' HG2' ' CE ' ' A' ' 66' ' ' MET . 7.8 mp0 59.39 118.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.242 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.43 ' CZ ' ' HE3' ' A' ' 122' ' ' MET . 16.7 p90 -123.72 -39.1 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER 68.68 67.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 117' ' ' LYS . 35.9 m-20 60.01 -86.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER 45.73 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -67.67 -68.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 119' ' ' SER . 5.7 p 36.79 84.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -71.37 -54.13 11.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.59 -46.75 80.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -62.65 -29.19 70.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.74 -34.13 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -46.15 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -28.75 66.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -80.59 -34.31 35.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -17.43 54.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -67.18 -59.79 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.474 ' HB2' ' CD1' ' A' ' 101' ' ' ILE . 3.3 m-85 -67.53 -36.73 81.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.04 -56.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -48.93 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.433 HG13 ' CD2' ' A' ' 21' ' ' LEU . 93.0 t -71.1 -35.26 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.5 t90 -71.3 -13.67 61.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.53 6.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.38 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.73 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.601 ' CE3' ' CB ' ' A' ' 93' ' ' GLU . 3.0 m95 -56.37 -21.34 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -52.44 -23.61 6.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 m -75.6 -1.47 24.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.85 81.05 12.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.7 m 39.42 82.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' ASP . 4.1 tp10 -76.87 164.32 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' GLU . 5.4 t70 -40.03 104.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t 173.93 79.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.29 132.86 0.73 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 161.83 102.46 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.5 tttt 70.02 165.13 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HE2' ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 2' ' ' ILE . 5.1 mp -96.46 157.1 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' CB ' ' HA ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -98.39 124.1 42.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.24 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -90.06 145.96 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.73 -148.11 17.97 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.105 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -162.47 168.58 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.86 159.32 8.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -39.54 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.02 -37.33 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 54.3 p -54.98 -53.97 48.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.58 -42.82 99.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD12 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -55.4 -32.71 62.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -75.5 -53.51 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.21 -20.03 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -71.52 -37.49 71.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -127.9 38.88 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -54.28 27.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -20.6 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -37.32 86.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 14' ' ' LEU . 16.1 mt -80.54 -34.69 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CD ' ' CB ' ' A' ' 1' ' ' MET . 19.9 mt-10 -54.64 -20.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.16 -52.2 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG2' ' CD1' ' A' ' 129' ' ' TYR . 11.0 pt -71.45 -26.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.11 -42.55 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' N ' HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -68.69 -52.59 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -51.54 -45.62 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.49 -61.06 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 tt -145.69 -53.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.04 -27.2 0.34 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -161.61 130.19 4.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.501 ' CG1' HD12 ' A' ' 107' ' ' LEU . 13.5 t -129.5 159.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.67 110.01 17.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 t -134.84 104.23 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.486 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -84.71 126.79 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.583 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.5 mp -94.32 108.09 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 13.2 mt -84.15 111.28 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG12 ' C ' ' A' ' 38' ' ' LEU . 33.4 m -137.02 131.71 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 11.1 p -69.18 -164.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 17.2 tt0 -70.39 -48.49 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.25 -36.3 71.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' SER . 6.7 mm-40 -64.06 -39.72 94.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 tt -79.6 -34.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.54 43.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.1 mt-10 -79.46 -48.94 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -44.71 -42.42 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 6.6 t-20 -57.82 -41.39 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.4 tt0 -79.67 -25.99 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -57.11 -23.96 50.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.04 -50.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -70.22 -19.09 63.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.29 6.18 56.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -110.91 144.06 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -99.47 95.65 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 3.5 ppt_? -174.23 130.04 0.48 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 61' ' ' LEU . 2.3 t -152.87 171.41 18.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 29.7 m-20 -61.76 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 p -146.19 138.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.67 130.74 46.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.5 m -112.77 148.32 35.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -78.83 146.81 69.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.2 pt? -178.07 98.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.39 101.55 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -160.81 -177.94 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 4.5 mt-10 -81.2 51.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 1.1 m-20 155.3 120.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.608 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -90.66 -53.39 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 18.3 p90 33.27 36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.56 -134.18 5.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.596 ' OE1' ' CE1' ' A' ' 75' ' ' TYR . 12.7 pt-20 -127.25 151.59 48.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -131.31 118.23 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.596 ' CE1' ' OE1' ' A' ' 73' ' ' GLU . 65.1 m-85 -85.29 126.45 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 99' ' ' VAL . 14.9 t -127.62 148.2 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.81 104.51 11.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.37 17.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -73.74 -53.98 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -76.89 -39.67 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 77.0 t -56.7 -58.4 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.1 pt-20 -55.88 -46.18 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -52.52 -31.57 36.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 7.0 m120 -78.98 -49.93 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -55.07 -27.22 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 4.1 mtp-105 -66.88 -43.16 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.5 pt-20 -76.36 -17.64 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.7 t80 -115.77 13.21 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.2 t-20 41.22 28.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' N ' ' C ' ' A' ' 88' ' ' PHE . 47.7 t30 -81.53 150.39 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.434 HG22 ' CG ' ' A' ' 93' ' ' GLU . 2.3 m -69.69 96.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -43.1 -42.7 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.586 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -56.43 -41.57 76.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' CE ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -65.58 -47.94 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 3.2 tt0 -57.14 -37.37 71.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -81.2 -29.91 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.4 -39.32 88.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' HIS . 9.0 mt-10 -58.75 -55.55 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' A' ' 76' ' ' VAL . 19.4 m -58.13 -22.06 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -77.5 -59.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 130' ' ' VAL . 44.9 pt -71.27 -16.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -54.04 -48.29 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.29 -53.03 49.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.9 mt -63.54 -42.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.586 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 0.3 OUTLIER -49.03 -52.87 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 12.9 m80 -55.96 -38.29 70.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.501 HD12 ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.96 9.06 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 105' ' ' LEU . . . -77.53 -30.14 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.63 47.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 110' ' ' TYR . 2.0 p90 -173.83 127.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 112' ' ' HIS . 0.5 OUTLIER -52.27 127.46 22.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -35.26 138.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER 77.92 -54.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 1.8 t80 67.95 -63.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -156.14 118.22 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.54 175.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -50.3 19.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -172.2 146.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -119.27 -170.8 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.51 -46.49 63.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -48.9 74.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.581 ' HE2' ' CD1' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.46 -29.79 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.02 -61.2 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.22 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.437 HE22 ' CE1' ' A' ' 102' ' ' HIS . 12.2 tt0 -73.25 -38.49 65.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -24.52 60.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -57.1 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.477 ' CD1' ' CG2' ' A' ' 24' ' ' ILE . 12.2 m-85 -72.99 -43.82 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.476 ' CG2' HD13 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.22 -51.66 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.2 mm-40 -60.55 -26.0 66.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.57 -52.95 6.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.486 ' CG1' HD22 ' A' ' 97' ' ' LEU . 95.1 t -66.09 -49.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 138' ' ' ARG . 10.4 t90 -65.49 -13.16 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.77 -31.66 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.8 -56.08 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 93' ' ' GLU . 6.9 m95 -56.41 -20.57 20.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.4 mmt85 -52.41 -30.62 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -14.57 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.74 65.76 47.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 141' ' ' PRO . 50.5 p -35.93 -51.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 177.07 166.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -67.96 101.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -167.7 -57.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.26 137.34 97.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 140.96 57.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.39 108.67 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.247 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 2.3 mp -97.44 148.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.21 123.37 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.97 110.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 1.1 pt? -125.62 163.21 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.48 -174.69 40.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.86 140.97 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.34 141.31 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -39.65 105.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.8 -35.19 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 45.1 t -55.44 -51.29 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.44 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD11 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -49.63 -32.05 12.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.16 -47.98 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.83 -19.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.49 -48.77 21.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -117.7 40.58 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.68 -58.02 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 2.1 mt-10 -57.91 -35.01 70.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.72 -40.44 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 101' ' ' ILE . 6.5 mt -77.95 -28.87 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 5.5 mt-10 -65.94 -20.8 66.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.8 mt-10 -74.91 -52.95 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 104' ' ' ILE . 24.7 pt -54.21 -43.98 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 22' ' ' GLU . 8.8 p -73.28 -41.95 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 3.4 ttmt -53.5 -53.74 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -60.34 -49.79 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -44.8 -60.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 tp -138.97 -61.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.46 -62.14 0.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.78 147.03 42.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 107' ' ' LEU . 6.2 m -141.04 -158.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 71' ' ' TYR . 8.6 m-70 -141.44 97.69 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.69 102.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.448 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 8.3 m-80 -95.64 105.98 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.01 131.0 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 75' ' ' TYR . 2.0 mp -114.29 107.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.7 mt -84.12 120.16 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 m -142.8 136.35 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -70.16 -164.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -73.58 -51.33 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.73 -32.35 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -31.2 69.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 61' ' ' LEU . 12.1 tt -88.85 -28.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -49.67 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.23 -49.77 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -44.01 -36.79 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 5.3 t-20 -61.18 -50.6 72.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -71.68 -24.8 61.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -58.81 -19.42 41.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -129.93 -53.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.87 -0.22 72.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -105.01 147.21 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.79 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.3 97.87 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -169.23 130.89 1.07 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.78 15.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -166.2 171.86 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.64 -69.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 p -136.63 135.47 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.65 126.31 40.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.8 m -104.07 141.13 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -77.71 128.92 78.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.444 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 107.02 2.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -177.61 62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.372 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.496 ' C ' ' O ' ' A' ' 65' ' ' LEU . 5.4 tpt -29.08 -54.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' MET . 3.7 tt0 35.17 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -18.39 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -168.77 -67.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -166.04 -65.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 91.0 t80 41.97 35.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.33 -136.59 3.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.568 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 12.3 pt-20 -135.6 120.21 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.804 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.6 tt -104.92 142.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CD1' HD11 ' A' ' 37' ' ' ILE . 49.7 m-85 -103.66 129.72 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 99' ' ' VAL . 3.0 t -122.03 152.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 42.6 t -138.98 99.37 8.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.03 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.53 -41.96 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 61.8 t -53.34 -56.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 12.9 pt-20 -62.91 -47.47 83.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 9.4 tp10 -53.64 -36.56 62.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 12.3 m-80 -75.07 -35.94 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -72.52 -28.35 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -63.6 -34.39 77.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -84.8 -20.75 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -109.5 12.31 24.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 43.49 27.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 88' ' ' PHE . 50.0 t30 -79.59 156.84 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.6 p -70.91 98.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 1.3 t80 -50.77 -30.36 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 4.7 pt-20 -73.18 -41.62 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -66.03 -49.76 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.4 -42.13 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -74.0 -36.62 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -57.12 -29.44 63.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.6 mt-10 -62.51 -56.71 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 76' ' ' VAL . 25.9 m -60.24 -25.58 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.479 HG23 ' CD2' ' A' ' 14' ' ' LEU . 25.2 t -69.71 -57.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.505 HD11 ' CG2' ' A' ' 130' ' ' VAL . 23.2 pt -74.55 -16.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.4 t-80 -50.7 -32.44 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.36 -49.59 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 24' ' ' ILE . 69.4 mt -65.63 -54.37 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.1 -27.1 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.419 ' N ' HD11 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -66.43 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -70.43 -15.96 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -58.87 -17.74 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.93 54.83 6.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 111' ' ' ASP . 40.2 p90 -57.02 -42.53 80.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.488 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 t70 -178.18 145.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -63.08 80.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 111' ' ' ASP . 18.0 tt0 64.14 115.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -101.53 56.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 72.85 -73.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 117' ' ' LYS . 4.6 t0 -170.69 73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 116' ' ' ASP . 2.9 tttt 84.26 -51.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.431 ' OD1' ' CD1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER 69.28 -65.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER 78.73 -59.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -49.68 -52.83 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 1.4 mp0 -74.09 -50.36 19.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 126' ' ' GLN . 23.9 tpp -52.78 -29.03 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' SER . 63.8 t80 -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.14 -61.54 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 2.1 mttp -56.53 -29.41 61.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 12.4 tt0 -76.06 -36.61 58.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -75.1 -17.4 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -59.34 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 18.0 m-85 -70.19 -37.55 75.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.505 ' CG2' HD11 ' A' ' 101' ' ' ILE . 1.2 t -54.47 -43.7 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 tt0 -60.25 -50.13 74.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -57.72 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.471 ' CG1' HD21 ' A' ' 97' ' ' LEU . 85.6 t -60.95 -47.89 91.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.585 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 10.3 t90 -64.74 -13.67 55.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.53 -26.18 9.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.22 -62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.599 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 10.2 m95 -56.3 -20.61 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.12 -32.28 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.6 m -73.26 -17.06 61.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 66.53 72.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.7 OUTLIER -36.03 132.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 1.3 44.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 14.4 t70 -111.81 -56.24 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 144' ' ' ASP . 1.2 m 83.94 113.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.77 134.25 9.9 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.86 3.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 150.55 104.27 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 7.2 mttp 56.25 -172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.3 mmt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.52 0.2 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.46 136.72 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.47 111.71 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG22 ' CB ' ' A' ' 11' ' ' SER . 8.1 mt -86.74 125.47 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.454 HD12 ' CG1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -139.09 158.05 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.07 -137.49 13.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -169.96 140.73 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.23 140.49 3.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -40.77 106.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.65 -31.21 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.432 ' CB ' HG22 ' A' ' 4' ' ' ILE . 5.6 t -68.75 -46.91 67.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.048 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.36 73.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -73.28 -32.51 64.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -52.38 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.3 -19.12 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -76.11 -49.36 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' CD2' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.25 37.91 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 2.7 pm0 -53.86 -30.43 45.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -65.82 -34.83 79.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 100' ' ' VAL . 11.2 mt -80.42 -31.47 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -60.23 -22.84 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.52 -51.96 20.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 ' CD1' HG21 ' A' ' 104' ' ' ILE . 45.4 pt -66.75 -44.51 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' N ' HG13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -60.22 -43.66 93.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -68.93 -54.16 16.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -44.87 -44.35 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CG ' ' CD1' ' A' ' 107' ' ' LEU . 9.5 tp10 -53.37 -52.16 60.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tp -145.48 -61.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.16 -55.2 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -120.03 120.25 35.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -135.5 -166.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 80.0 m-70 -156.25 110.93 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 t -125.37 111.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -95.4 122.76 38.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.91 128.77 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 2.6 mp -107.85 112.54 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.1 mt -85.24 113.43 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.56 138.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -75.68 -164.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -72.48 -52.23 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -27.05 62.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.41 -32.15 62.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 61' ' ' LEU . 3.4 tt -87.12 -28.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.97 -48.63 32.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.02 -49.43 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 1.1 tm? -46.01 -30.16 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 8.0 t-20 -65.55 -56.83 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -71.13 -23.6 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.91 -25.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.98 -50.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 15.7 mmt180 -71.36 -22.1 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.07 -1.43 55.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -98.02 134.74 40.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.64 98.55 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -174.31 133.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -160.86 168.31 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 22.1 m-20 -60.38 -68.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -137.32 135.74 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.41 130.6 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.6 m -108.74 148.65 30.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -78.24 157.02 78.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 66' ' ' MET . 0.5 OUTLIER 168.57 -51.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER 28.43 68.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -116.03 -177.23 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.57 -32.58 51.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -137.39 85.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 3.5 p -38.57 -49.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 81.5 t80 36.67 32.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -120.49 -145.29 7.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.634 ' CG ' ' CE2' ' A' ' 63' ' ' PHE . 8.7 pt-20 -121.83 120.44 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 tt -107.71 134.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.573 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 45.4 m-85 -96.68 139.6 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.508 ' CG2' HG21 ' A' ' 99' ' ' VAL . 31.1 t -133.98 152.04 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.448 ' N ' HG11 ' A' ' 76' ' ' VAL . 24.7 p -142.99 104.23 5.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 4.2 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -53.37 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.69 -37.78 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.9 t -59.85 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.2 pt-20 -58.96 -47.38 85.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -52.44 -32.8 41.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -79.52 -47.12 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -59.25 -27.96 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -61.07 -40.99 95.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -83.97 -21.29 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -105.5 13.27 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 37.77 32.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' PHE . 53.5 t30 -86.04 156.26 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.403 ' HB ' ' HG2' ' A' ' 93' ' ' GLU . 60.1 p -80.16 97.5 6.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -44.46 -30.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 5.6 pt-20 -60.65 -48.01 83.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.52 -44.78 77.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -57.26 -41.05 78.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -77.85 -37.15 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -56.4 -29.17 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 126' ' ' GLN . 23.9 mt-10 -66.2 -56.02 13.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.508 HG21 ' CG2' ' A' ' 76' ' ' VAL . 3.2 m -55.49 -23.46 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.475 ' CG1' HD12 ' A' ' 21' ' ' LEU . 10.9 t -74.8 -58.16 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.478 HD11 ' CG2' ' A' ' 130' ' ' VAL . 26.7 pt -68.77 -16.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' GLU . 1.7 t-160 -52.59 -38.25 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -44.8 9.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG21 ' CD1' ' A' ' 24' ' ' ILE . 74.9 mt -66.2 -55.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -50.72 -36.03 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -54.12 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.459 HD23 ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.19 -30.08 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.27 69.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.72 145.6 15.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 9.4 p90 -169.22 -172.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -52.65 137.43 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -56.68 104.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.97 115.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 114' ' ' PHE . 23.5 t80 -125.22 68.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 0.4 OUTLIER -74.83 126.8 31.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER 74.82 154.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.0 23.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -154.45 -58.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -40.86 126.38 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -47.27 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.49 -39.52 76.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -46.45 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.3 -37.25 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.64 -39.64 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -55.9 -56.23 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' NE2' ' OE1' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -61.71 -28.5 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.428 ' N ' ' HG2' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -58.32 -61.65 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 24.3 m-85 -64.6 -38.21 90.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 101' ' ' ILE . 2.2 t -54.63 -55.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 -24.52 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -50.42 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.482 ' CG1' HD21 ' A' ' 97' ' ' LEU . 98.2 t -74.0 -43.07 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -68.02 -13.28 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.92 -26.37 8.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.35 -61.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.618 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.7 m95 -54.51 -22.66 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.07 -51.19 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.6 m -51.0 -21.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.31 76.05 52.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLU . 18.2 Cg_endo -75.03 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 t 67.31 -67.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 141' ' ' PRO . 2.1 mt-10 -177.54 171.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.56 107.8 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -177.97 159.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.25 97.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.93 5.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 40.5 69.1 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 87.33 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.438 0.161 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -109.1 140.95 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 117.58 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mt -108.76 116.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -133.19 163.84 28.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -169.42 32.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -139.48 136.73 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 139.91 139.82 3.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -38.41 112.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . 159.56 -25.85 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 28.2 t -67.92 -55.58 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -27.04 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 1.9 tp -67.78 -34.36 76.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.08 -44.41 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.67 -28.38 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 1.2 m-20 -60.86 -50.14 74.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.41 46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -58.76 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -53.91 -28.84 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -40.69 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.488 ' CD2' HG12 ' A' ' 100' ' ' VAL . 2.2 mt -80.49 -36.73 32.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.68 -21.01 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.7 mt-10 -74.88 -47.7 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.1 pt -77.75 -26.7 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -67.63 -47.82 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 ttmt -64.96 -45.76 84.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -60.4 -43.36 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -45.94 -55.32 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.4 tt -147.61 -52.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.92 -41.91 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.71 104.71 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' C ' ' CD2' ' A' ' 33' ' ' HIS . 12.5 p -171.02 162.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 3.1 m-70 -152.86 135.05 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -106.26 133.98 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' CB ' HD23 ' A' ' 5' ' ' LEU . 2.1 m120 -99.9 107.31 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -100.81 129.36 51.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 75' ' ' TYR . 3.2 mp -107.45 112.0 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 7.9 mt -78.95 119.73 22.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 44' ' ' ILE . 25.9 m -151.14 136.25 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.19 -165.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -73.46 -41.57 63.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -30.21 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.34 -40.11 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 HD12 ' CG2' ' A' ' 39' ' ' VAL . 2.1 tt -77.16 -34.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -50.12 -46.89 54.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' GLN . 4.5 mt-10 -78.52 -48.75 14.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 75' ' ' TYR . 1.1 tm? -47.48 -34.13 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -66.07 -51.5 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.84 -24.65 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.2 mt-30 -57.19 -22.48 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.34 -51.21 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.34 -24.37 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.94 -2.29 75.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -106.05 145.06 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 1.3 t0 -102.83 94.26 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -175.43 137.11 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.63 28.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -144.4 13.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.5 t0 81.74 -50.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.69 130.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.78 132.5 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -114.58 150.91 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -86.91 137.9 33.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.78 2.56 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 2.2 pt? -174.88 137.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.0 84.66 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -133.31 -175.99 3.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.36 57.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' TYR . 2.6 t70 179.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.612 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 1.8 t 67.16 -68.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 8.7 p90 32.77 37.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -100.93 -161.65 27.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 3.3 mt-10 -125.6 132.35 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.2 OUTLIER -126.44 143.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.558 ' CE1' HD11 ' A' ' 37' ' ' ILE . 29.8 m-85 -103.49 139.86 38.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG2' HG21 ' A' ' 99' ' ' VAL . 14.9 t -130.88 146.88 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 28.8 p -136.97 102.96 9.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.352 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -59.22 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mp -68.12 -41.07 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 60.2 t -52.68 -44.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER -56.06 -52.73 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -36.72 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.53 -34.78 67.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.17 47.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtt180 -68.77 -36.25 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.95 -19.09 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.48 8.06 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 52.55 20.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 41.2 t30 -80.61 138.7 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.57 104.63 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.582 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -60.11 -57.43 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.61 -43.43 68.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.2 tt0 -72.51 -22.47 61.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 3.2 tm? -74.64 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 1.3 pp -58.4 -28.62 65.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -55.83 -37.09 68.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 5.6 m -75.04 -26.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.488 HG12 ' CD2' ' A' ' 21' ' ' LEU . 42.0 t -68.4 -57.41 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.489 ' CD1' HG21 ' A' ' 130' ' ' VAL . 12.3 pt -62.05 -16.34 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.495 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 22.7 t-80 -51.17 -39.6 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.37 -52.7 4.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.49 -55.21 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.5 OUTLIER -51.75 -43.12 62.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CG ' ' CE2' ' A' ' 110' ' ' TYR . 4.5 m170 -54.78 -61.22 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD21 ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -62.14 -22.64 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.39 66.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 151.56 109.36 0.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.63 ' CE2' ' CG ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -177.97 163.05 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.17 170.09 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -51.45 100.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -177.45 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.55 ' CD1' ' HB2' ' A' ' 122' ' ' MET . 42.8 m-85 -87.19 72.4 9.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 116' ' ' ASP . 20.9 pt-20 -116.0 -44.2 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -56.76 164.6 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 69.73 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -145.09 -63.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.0 m 43.27 82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -54.86 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -77.24 -42.59 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.55 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 34.6 tpp -58.18 -28.69 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.56 -45.69 63.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.62 -56.21 24.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.582 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 12.1 mttp -61.48 -31.74 71.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.86 -33.48 66.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -73.73 -28.11 61.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -58.93 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 29.0 m-85 -68.33 -41.97 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.76 -42.37 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.95 -35.4 80.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -47.38 47.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 97' ' ' LEU . 71.6 t -71.27 -55.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 12.3 t90 -63.14 -14.86 53.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.5 -29.97 25.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -87.57 -55.9 3.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 15.9 m0 -59.49 -20.13 53.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -53.24 -28.54 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.4 m -78.51 -12.2 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.44 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -136.41 63.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -75.0 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 143' ' ' GLU . 0.5 OUTLIER -67.71 -44.06 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER 35.38 95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 144' ' ' ASP . 6.2 p-10 46.18 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -172.84 70.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.2 134.85 19.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -55.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.11 86.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 150' ' ' ARG . 0.1 OUTLIER -178.9 143.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.706 ' N ' ' HE2' ' A' ' 22' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.22 140.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.72 119.27 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -111.13 105.81 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -120.31 163.93 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.8 -152.65 22.55 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -157.5 146.76 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.09 136.14 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.8 106.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.6 -26.96 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -55.71 -54.41 44.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -42.99 81.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -53.72 -29.49 39.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -77.27 -49.62 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.48 -20.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.8 -50.81 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.87 41.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -40.38 41.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.93 -22.5 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -35.19 80.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 24' ' ' ILE . 3.0 mt -79.57 -27.59 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.706 ' HE2' ' N ' ' A' ' 1' ' ' MET . 2.3 mt-10 -60.27 -18.87 52.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.67 -55.28 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 21' ' ' LEU . 17.2 pt -51.42 -50.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 2.4 m -56.79 -37.7 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -62.76 -49.99 72.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -53.01 -44.25 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' OE2' ' CG2' ' A' ' 29' ' ' ILE . 1.2 tm-20 -68.31 -61.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' OE2' ' A' ' 28' ' ' GLU . 12.5 tt -151.27 -53.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 106.09 -20.66 35.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.74 76.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG2' HD23 ' A' ' 107' ' ' LEU . 1.8 p -137.83 173.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 32' ' ' VAL . 29.1 m-70 -153.57 107.46 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.547 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.84 105.5 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.0 m-20 -91.53 116.76 29.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.42 135.46 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 3.5 mp -112.71 107.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLU . 11.6 mt -80.25 120.4 24.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 39' ' ' VAL . 19.9 m -143.85 139.86 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 91.4 p -72.76 -167.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 60.4 tt0 -74.78 -41.25 60.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.39 -28.97 61.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -80.55 -39.53 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 40' ' ' SER . 1.8 tt -72.13 -48.3 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 7.8 pttp -48.05 -48.06 33.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.55 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 2.4 mt-10 -73.92 -50.2 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 51' ' ' PHE . 1.7 tm? -48.84 -43.17 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.3 t-20 -51.92 -39.66 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -82.45 -24.83 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.82 -22.07 61.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD2' HD12 ' A' ' 47' ' ' LEU . 25.5 m-85 -129.03 -52.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 5.5 tpt180 -70.81 -25.61 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.07 -7.36 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -95.71 140.51 30.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -99.11 95.55 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -173.95 122.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.56 18.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 t -162.54 171.65 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.46 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 76' ' ' VAL . 3.1 p -132.56 139.93 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.72 130.64 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -105.59 135.82 46.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -78.47 133.62 63.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' GLU . 1.2 pt? -171.61 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.0 mtp -41.56 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 31.2 mt-10 -127.68 -175.01 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -37.97 88.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.9 87.93 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -43.78 134.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.6 p90 -156.56 38.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.12 -137.38 9.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 6.9 pt-20 -131.17 114.18 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 pp -103.12 152.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.496 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 5.6 m-85 -112.4 135.37 53.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 60' ' ' VAL . 55.0 t -127.31 154.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.439 ' SG ' ' CD1' ' A' ' 80' ' ' ILE . 9.0 t -142.04 98.56 6.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -57.71 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.439 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -69.46 -41.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 89.9 t -52.8 -51.23 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 13.3 tt0 -62.76 -42.02 99.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.53 -49.23 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -68.89 -28.47 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -76.97 -27.97 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.8 mtp180 -63.06 -52.0 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.04 -36.79 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ASN . 9.6 t80 -91.74 12.28 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.57 36.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 16.4 t30 -80.38 156.1 26.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.565 HG22 ' CZ2' ' A' ' 134' ' ' TRP . 25.6 m -74.71 97.38 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -52.53 -28.24 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -72.35 -57.22 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.577 ' HB2' ' CE3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -58.32 -38.96 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -58.12 -52.09 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -27.91 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 HD21 ' CG1' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.656 ' HE2' ' NE2' ' A' ' 126' ' ' GLN . 11.8 mt-10 -66.48 -55.44 15.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 100' ' ' VAL . 3.9 m -58.6 -26.84 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.478 HG23 ' CD2' ' A' ' 14' ' ' LEU . 14.1 t -64.83 -57.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 105' ' ' LEU . 42.2 pt -77.81 -15.81 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 8.2 t60 -51.08 -28.62 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.24 -51.93 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 25' ' ' VAL . 49.2 mt -67.23 -54.4 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.551 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -48.23 -27.18 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 19.4 t-160 -69.19 -51.42 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.614 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 HD23 ' CG2' ' A' ' 32' ' ' VAL . 2.6 pp -82.57 3.95 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.84 -26.66 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.538 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . -177.16 -152.88 10.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.714 ' CE2' ' CE ' ' A' ' 122' ' ' MET . 0.2 OUTLIER 68.04 160.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -173.84 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 112' ' ' HIS . 43.7 p-80 -105.26 76.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 63.81 134.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.78 4.81 11.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -126.74 156.81 40.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ASN . 5.1 t70 177.26 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 65.86 -74.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' ASP . 4.7 p30 -115.69 135.12 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.94 75.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -54.01 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -38.14 85.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.714 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 1.9 mmt -60.64 -51.04 71.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.4 -29.35 62.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.3 -62.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.656 ' NE2' ' HE2' ' A' ' 98' ' ' GLU . 14.0 tt0 -77.28 -39.08 49.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -25.57 64.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -57.03 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -73.01 -40.22 65.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.5 ' CG2' HD11 ' A' ' 101' ' ' ILE . 1.2 t -56.14 -42.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -40.66 71.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG1' HD21 ' A' ' 97' ' ' LEU . 57.1 t -78.72 -39.2 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 94' ' ' LYS . 10.2 t90 -76.62 -13.53 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.2 -30.42 24.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.52 -57.92 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.2 m95 -56.02 -20.64 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.61 -35.42 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.0 m -59.3 -15.14 14.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -117.41 84.43 18.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -75.03 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 33.6 t -38.01 -52.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -152.21 158.74 43.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -41.42 141.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t 178.26 121.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.54 150.61 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -45.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.8 45.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 73.79 137.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' CE ' ' HA ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.503 0.192 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.86 156.71 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 110.62 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mt -104.19 107.14 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -128.49 164.78 22.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 -42.99 3.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 60.37 145.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.53 163.44 11.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' PRO . 1.5 tttt -40.11 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.32 -26.97 2.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 p -56.66 -49.77 74.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -30.2 65.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -65.61 -29.43 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' CG2' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -73.68 -50.88 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.05 -21.45 3.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.05 -45.72 55.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.12 36.45 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -58.7 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 7.1 mt-10 -53.08 -40.66 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' NZ ' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -54.92 -37.53 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 7.1 mt -80.45 -30.42 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 1' ' ' MET . 16.8 mt-10 -65.88 -20.16 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.88 -52.35 10.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 129' ' ' TYR . 16.5 pt -61.89 -41.37 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.491 ' CG2' ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.1 -36.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -68.94 -53.03 23.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -55.74 -52.71 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -51.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.56 -53.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LYS . . . 153.03 -29.94 0.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.501 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 10.2 t70 -168.39 130.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG1' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -137.45 -176.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.434 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 25.8 m-70 -135.54 113.84 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.78 115.44 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 73' ' ' GLU . 12.1 m-20 -93.52 96.17 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.46 127.32 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' A' ' 75' ' ' TYR . 4.5 mp -109.42 107.52 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 mt -89.18 112.98 24.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 44' ' ' ILE . 30.3 m -136.95 141.98 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 22.6 p -68.35 -166.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -74.04 -52.84 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.04 -27.05 67.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -73.78 -43.73 58.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 tt -76.67 -34.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.01 -44.99 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 51' ' ' PHE . 1.1 tm? -47.8 -30.41 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.74 -56.31 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -68.64 -23.52 64.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.98 -22.42 49.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.455 ' CD2' HD13 ' A' ' 47' ' ' LEU . 36.8 m-85 -129.85 -54.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.61 -24.23 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.88 -11.94 38.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 52' ' ' ARG . 7.8 mp0 -87.09 145.17 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.33 95.14 6.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -173.87 128.86 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.1 15.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.3 t -155.19 176.2 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -70.69 -54.93 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -151.76 135.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.54 140.14 30.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 t -126.1 151.11 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -82.34 142.98 47.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.97 109.22 2.89 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' MET . 1.6 pt? -173.8 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' LEU . 7.2 mmm 27.4 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.11 -179.67 5.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -51.61 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 70' ' ' VAL . 10.6 m-20 -119.02 75.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 106' ' ' HIS . 2.1 p -35.93 -64.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.72 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 49.11 16.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 70' ' ' VAL . . . -90.1 -139.39 7.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.611 ' CD ' ' CZ ' ' A' ' 63' ' ' PHE . 5.2 pt-20 -129.72 133.35 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 0.812 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.38 131.68 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 37' ' ' ILE . 10.3 m-85 -95.54 121.67 37.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 99' ' ' VAL . 72.9 t -105.86 152.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 80' ' ' ILE . 22.4 t -142.47 97.71 6.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.439 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -75.04 2.78 6.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -79.97 -55.44 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 4.8 mp -76.06 -26.47 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 68.2 t -71.89 -56.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 11.2 pt-20 -53.36 -45.08 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 4.9 tp10 -59.41 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -79.65 -39.4 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.21 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 5.0 mtp-105 -77.91 -32.24 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.33 -23.82 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -128.12 -78.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 4.7 t-20 165.67 43.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -90.48 150.86 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 p -71.36 97.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.5 t80 -46.14 -37.71 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.521 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 3.1 pt-20 -58.13 -46.12 86.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -65.45 -46.12 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.478 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 tm-20 -56.35 -41.45 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 2.3 tm? -78.24 -29.57 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -66.59 -37.5 85.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 16.8 mt-10 -57.97 -58.74 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 76' ' ' VAL . 19.0 m -57.38 -24.27 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.494 ' CG2' ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -74.05 -57.02 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' LEU . 46.1 pt -70.87 -16.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.0 t60 -52.02 -34.28 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.65 -33.69 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 33.5 mt -80.4 -56.35 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.6 pp -48.82 -50.81 32.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.587 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 23.5 t-160 -59.51 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 mt -85.47 -25.04 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -59.62 -20.37 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 110' ' ' TYR . . . 74.3 155.76 4.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 109' ' ' GLY . 57.3 m-85 -160.32 -161.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -119.13 -41.01 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -42.3 162.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.609 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.3 5.33 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.489 ' CB ' ' HE2' ' A' ' 66' ' ' MET . 13.7 m-85 47.94 37.03 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -174.75 175.89 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLU . 5.5 t70 60.24 117.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 tptt 78.27 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.94 169.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 119' ' ' SER . 21.0 p -112.75 83.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -78.74 -51.84 9.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -54.7 -44.15 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.561 ' HE3' ' CE2' ' A' ' 110' ' ' TYR . 22.4 tpp -56.03 -45.54 79.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.56 -32.14 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.42 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -52.89 -39.74 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' A' ' 105' ' ' LEU . 6.8 tt0 -66.34 -37.78 86.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -72.79 -17.87 61.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -55.96 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.602 ' CD1' ' CG2' ' A' ' 24' ' ' ILE . 23.1 m-85 -72.67 -35.91 67.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.2 t -55.53 -51.27 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 mm-40 -69.34 -36.43 76.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -52.18 55.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 97' ' ' LEU . 72.0 t -69.26 -34.76 64.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 11.2 t90 -78.86 -13.71 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.68 -30.34 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -51.96 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.601 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -60.13 -21.17 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 134' ' ' TRP . 3.6 ttp180 -54.86 -38.67 67.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.5 m -63.6 -13.62 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.64 70.3 82.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m 43.34 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.52 -1.19 23.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 145' ' ' SER . 26.7 t0 -168.29 72.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 144' ' ' ASP . 2.4 t 160.39 88.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -113.15 121.46 38.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 156.39 46.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -160.78 159.48 30.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 mp -119.02 127.23 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 121.63 26.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mt -109.4 106.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 37' ' ' ILE . 1.1 pt? -125.19 162.0 25.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.22 -166.92 38.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -142.21 140.44 32.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 150.05 132.06 1.97 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -39.02 108.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.51 -26.94 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t -56.47 -54.16 49.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -44.8 63.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.689 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -52.04 -28.78 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -45.44 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.31 -20.27 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -73.81 -49.29 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD21 ' CE3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.6 38.15 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.57 5.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.2 pt-20 -60.89 -29.76 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -55.11 -42.34 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -77.07 -28.48 54.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' C ' HG22 ' A' ' 25' ' ' VAL . 3.8 mt-10 -67.23 -18.73 65.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.7 mt-10 -76.91 -52.68 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.3 pt -52.71 -44.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 ' CG1' HG12 ' A' ' 104' ' ' ILE . 34.8 m -70.23 -48.79 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -56.05 -42.0 75.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -66.98 -61.02 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.6 tp -147.05 -53.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 89.09 48.54 3.79 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.43 57.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -123.45 166.15 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 24.0 m-70 -140.07 102.25 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.27 115.13 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.449 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 3.0 m120 -95.07 124.19 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.429 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -102.17 138.03 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.578 ' HB ' ' CD2' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -110.82 107.91 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 23.1 mt -81.09 109.23 15.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 31.8 m -142.01 141.15 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 0.5 OUTLIER -83.51 -169.59 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.55 -47.52 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.88 -29.16 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -36.38 54.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' CG1' HD11 ' A' ' 61' ' ' LEU . 7.7 tt -80.7 -29.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' N ' HG22 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -51.13 -44.55 61.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.77 -49.86 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 75' ' ' TYR . 1.9 tm? -45.59 -36.75 4.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -70.19 -43.9 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 52.1 mt-30 -70.66 -24.02 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.73 -23.03 49.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -130.29 -53.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -74.37 -17.62 60.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.75 19.38 9.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 15.2 mt-30 -114.29 144.84 42.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.44 94.27 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -175.62 128.39 0.38 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.09 32.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.453 ' CG2' HD13 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -142.86 12.43 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.6 m-20 73.34 -54.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.1 p -143.13 128.06 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.84 140.5 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 m -115.35 146.1 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.48 138.24 41.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.28 2.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 1.8 pt? -176.05 113.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.46 46.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.5 mm-40 -73.3 -173.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.3 mm-40 -38.64 -51.72 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.65 -66.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 2.6 p -178.88 -61.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 73.5 t80 40.51 34.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.79 -152.38 10.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' CB ' ' HB2' ' A' ' 35' ' ' ASN . 8.9 pt-20 -123.62 124.13 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' ASN . 20.4 tt -107.18 125.25 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.578 ' CD2' ' HB ' ' A' ' 37' ' ' ILE . 29.2 m-85 -84.7 131.14 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 99' ' ' VAL . 2.1 t -121.69 154.55 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 44.8 t -149.98 105.65 3.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 108.297 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.16 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.52 -40.05 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 63.8 t -52.86 -49.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.05 -46.27 81.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -60.08 -39.47 86.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -41.55 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -55.36 -27.12 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -70.35 -53.21 17.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 1.8 pt-20 -72.72 -28.77 62.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -101.96 9.75 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.3 t-20 39.86 30.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 88' ' ' PHE . 7.0 t30 -85.71 165.94 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -94.6 97.28 10.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.459 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -49.31 -38.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.665 ' CB ' ' CE2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.44 -50.86 70.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.599 ' HG3' ' CE3' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -70.64 -47.17 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.483 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 2.1 tt0 -53.0 -22.52 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.55 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 2.8 tp -86.09 -58.56 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.592 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 2.1 pp -56.48 -26.6 54.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -68.51 -33.88 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 3.0 m -66.49 -24.03 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 21' ' ' LEU . 34.5 t -73.92 -57.51 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 19.6 pt -58.74 -16.83 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -51.73 -43.88 63.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.25 -50.85 5.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.457 HG12 ' CG1' ' A' ' 25' ' ' VAL . 86.1 mt -55.57 -53.86 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -55.25 -35.72 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.359 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 110' ' ' TYR . 8.3 t-160 -51.46 -38.01 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -26.13 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.94 -18.2 31.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 160.52 169.77 24.23 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.691 ' CD2' ' CE ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 60.86 141.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.992 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -148.59 69.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' GLU . 49.5 t-80 -177.9 141.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -36.93 113.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.513 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 12.4 p90 -120.91 29.12 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -38.54 -53.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 174.71 81.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -44.21 -61.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 p 178.75 158.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -20.93 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.99 -49.49 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.691 ' CE ' ' CD2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -57.82 -30.79 66.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.34 -55.02 15.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.13 -36.73 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -52.56 -42.05 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 17.0 tt0 -54.48 -44.2 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -68.57 -20.92 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 125' ' ' LYS . 4.8 tttp -57.17 -58.96 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 7.4 m-85 -73.24 -34.75 66.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 134' ' ' TRP . 1.0 OUTLIER -59.64 -38.59 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.68 -46.68 86.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -51.73 53.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.432 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 52.4 t -62.02 -37.64 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 8.3 t90 -75.38 -12.77 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.53 -37.68 41.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 5.8 tt0 -87.56 -58.14 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.689 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 1.9 t90 -53.92 -21.2 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.033 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.92 -29.76 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.406 ' C ' ' HD3' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -64.31 -9.54 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.46 69.77 79.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 177.8 8.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' PRO . 14.0 m 46.3 -172.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -143.23 14.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 29.6 t0 69.83 74.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t -165.08 77.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.65 149.05 38.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.15 104.44 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 129.13 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' CE ' HG21 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.528 0.204 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 3' ' ' ARG . 4.0 mp -95.99 157.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -107.69 133.78 51.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' CD1' ' CG1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -111.19 162.49 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.94 -150.32 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.47 148.77 12.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.85 147.2 4.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.67 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.57 -34.61 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 90.7 p -55.51 -52.82 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -43.45 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -50.7 -35.63 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD12 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.22 -52.82 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 18' ' ' LYS . 13.7 mt-10 -51.84 -20.44 2.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -74.55 -49.04 23.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.87 39.08 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -70.86 -52.49 19.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.83 -25.31 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -64.61 -40.66 95.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.3 mt -79.59 -28.02 41.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 4.9 mt-10 -63.33 -17.11 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.37 -54.43 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 104' ' ' ILE . 20.7 pt -51.79 -47.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.531 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 3.0 m -62.79 -33.33 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.11 -49.96 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -36.94 85.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.4 ' HG2' ' CD1' ' A' ' 107' ' ' LEU . 33.6 tp10 -67.31 -61.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 tt -148.9 -60.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' O ' ' CE ' ' A' ' 1' ' ' MET . . . 141.16 -86.91 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -80.71 97.8 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG23 ' CG1' ' A' ' 25' ' ' VAL . 31.4 m -108.92 -169.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -150.52 98.78 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.58 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.9 t -117.61 104.15 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 1.9 m-80 -93.96 107.92 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.03 138.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -114.17 110.43 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 9.5 mt -89.19 119.87 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.444 HG23 ' CB ' ' A' ' 44' ' ' ILE . 27.6 m -145.65 139.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 1.4 m -72.4 -167.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -73.45 -49.09 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.6 -41.44 31.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' CB ' HG23 ' A' ' 39' ' ' VAL . 12.3 tt -74.6 -33.35 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -43.69 43.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.32 -48.74 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -46.28 -28.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.5 t-20 -74.73 -52.86 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 54' ' ' GLN . 44.8 mt-30 -60.63 -24.68 65.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -52.77 -33.03 46.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -127.5 -49.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -71.19 -17.97 62.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.06 17.25 9.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 9.9 mt-30 -114.89 142.68 46.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.17 94.16 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 130.09 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' CB ' HD12 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.02 163.49 35.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -143.27 10.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER 77.66 -51.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 76' ' ' VAL . 3.6 p -145.05 123.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.91 123.11 39.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -128.53 121.44 28.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -97.99 158.95 31.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.42 8.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.543 1.812 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -128.95 17.99 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' LEU . 18.8 mmt -32.92 96.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' GLU . 18.2 mm-40 -139.25 -173.29 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -36.2 -52.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.2 m-20 -158.53 86.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' CG2' ' N ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER 32.27 -97.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.556 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 2.9 m-85 46.53 46.82 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 73' ' ' GLU . . . -117.31 -133.8 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 3.2 mt-10 -140.59 160.42 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.4 tt -147.27 123.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 37' ' ' ILE . 64.4 m-85 -83.68 129.74 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG2' ' HB ' ' A' ' 99' ' ' VAL . 2.7 t -123.31 151.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 44.2 t -142.6 100.3 5.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.418 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 18.3 Cg_endo -74.98 1.43 7.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -60.5 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.404 HD12 ' CB ' ' A' ' 57' ' ' PRO . 3.1 mp -70.56 -43.77 77.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.3 t -52.67 -42.24 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.05 -52.3 63.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.42 -33.64 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.98 -37.29 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -67.15 -36.61 82.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.38 -20.88 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -112.27 13.02 20.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 40.1 30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' PHE . 43.1 t30 -76.43 171.68 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 p -86.76 98.31 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 t80 -48.55 -30.83 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.525 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -76.55 -38.11 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.61 -51.69 47.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 mm-40 -54.02 -42.94 69.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD23 ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -73.07 -30.35 63.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' HIS . 64.0 mt-10 -58.41 -56.19 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.513 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 34.9 m -59.22 -23.05 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' HD22 ' A' ' 21' ' ' LEU . 2.1 t -75.99 -57.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 21' ' ' LEU . 47.3 pt -68.68 -18.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -55.86 -43.51 77.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.75 93.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.49 HG12 ' CG1' ' A' ' 25' ' ' VAL . 54.6 mt -69.39 -41.52 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -49.53 -39.58 34.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 18.8 m170 -54.17 -65.84 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.43 ' N ' HG13 ' A' ' 70' ' ' VAL . 4.5 pp -62.46 -29.22 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.18 -18.18 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.69 131.91 6.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 106' ' ' HIS . 4.8 p90 -174.76 -173.42 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -80.39 87.39 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -40.2 152.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' GLU . 16.2 tt0 70.77 5.78 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.54 ' CD2' ' SD ' ' A' ' 122' ' ' MET . 3.2 p90 -36.37 -33.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -51.4 95.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 118' ' ' ASN . 13.1 t0 -176.81 95.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' ASP . 2.3 t-20 178.95 168.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.33 150.3 35.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -80.21 -53.54 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.38 -46.35 73.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -59.12 -51.67 69.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 127' ' ' LYS . 18.2 t80 -61.04 -41.04 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.13 -58.54 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -61.0 -25.46 66.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 13.1 tt0 -79.29 -32.49 43.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -78.56 -17.24 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.443 ' CD1' HG21 ' A' ' 24' ' ' ILE . 6.0 m-85 -66.98 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.479 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.0 OUTLIER -57.34 -53.66 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.09 -33.29 75.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -51.12 29.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.452 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 97.9 t -71.54 -33.4 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.2 t90 -77.82 -13.9 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.92 -24.64 8.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -87.09 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 6.1 m95 -55.86 -22.86 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -46.89 -42.33 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.3 m -51.92 -20.73 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.85 90.74 28.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -74.98 -161.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 141' ' ' PRO . 2.8 t -35.24 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.75 18.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.2 122.36 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 72.9 p -134.19 173.28 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -168.21 90.71 0.65 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 64.1 6.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 150' ' ' ARG . . . -153.72 -84.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.39 30.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 148' ' ' GLY . 7.6 mmt85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 1' ' ' MET . 2.1 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.497 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 mp -121.24 156.87 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.87 112.89 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.63 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 HD22 ' CB ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -119.26 165.23 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -166.24 30.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.44 137.97 22.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.35 145.71 4.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -39.0 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.02 -31.73 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.402 ' N ' HD13 ' A' ' 38' ' ' LEU . 4.8 p -55.76 -53.53 55.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.48 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.577 ' CD2' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -48.7 -34.22 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -76.06 -48.22 21.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.02 -20.44 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -74.06 -51.41 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.588 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -112.93 38.5 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.73 -59.31 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.68 -40.49 88.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.72 -30.05 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 22.0 mt -81.62 -42.65 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 1' ' ' MET . 41.2 mt-10 -53.23 -20.71 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.1 mt-10 -68.37 -52.35 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -62.43 -39.42 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -70.5 -45.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 10.4 tttm -67.96 -36.89 80.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.3 tttt -59.25 -52.55 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' HG2' ' CA ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -74.44 -55.96 5.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -173.92 104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -65.62 -160.04 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLY . 7.4 t70 39.14 63.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' HB ' ' CD1' ' A' ' 107' ' ' LEU . 12.0 m -106.92 -164.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' CD2' ' HD1' ' A' ' 71' ' ' TYR . 35.3 m-70 -151.34 99.43 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -125.03 103.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' CB ' HD22 ' A' ' 5' ' ' LEU . 2.6 m120 -96.3 104.03 15.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 74' ' ' ILE . 2.2 t -96.72 127.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.58 ' CG2' ' CE2' ' A' ' 75' ' ' TYR . 4.1 mp -108.73 110.4 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 39' ' ' VAL . 15.3 mt -84.71 110.97 19.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' A' ' 44' ' ' ILE . 31.4 m -134.94 136.25 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 m -68.39 -164.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -72.17 -50.61 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -39.83 81.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.51 -42.28 96.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 39' ' ' VAL . 1.8 tt -76.44 -32.66 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -45.2 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 2.6 mt-10 -79.34 -48.53 13.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.2 tm? -45.33 -44.46 11.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ARG . 4.8 t-20 -59.87 -38.77 83.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mt-30 -77.96 -22.66 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.08 -28.0 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -128.02 -55.95 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 mpt_? -69.75 -13.59 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 53.64 28.23 37.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 12.0 pt20 -123.43 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.45 95.62 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.48 138.65 0.56 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.26 29.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.468 ' CG2' HD11 ' A' ' 61' ' ' LEU . 1.9 t -156.6 174.03 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -67.85 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 p -150.58 134.67 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.45 132.62 40.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 t -124.34 149.65 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 2.6 m-85 -80.94 142.44 52.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt? -175.05 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.6 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -144.02 -177.2 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 3.3 mp0 -86.85 45.12 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER 158.43 83.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.494 ' O ' ' CD1' ' A' ' 65' ' ' LEU . 2.6 p -39.2 -61.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 69.1 t80 46.83 23.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -120.02 -145.61 7.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.674 ' CG ' ' CE2' ' A' ' 63' ' ' PHE . 13.1 pt-20 -127.4 152.69 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' CD1' HG21 ' A' ' 36' ' ' VAL . 1.9 pp -139.86 133.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' CG2' ' A' ' 37' ' ' ILE . 16.5 m-85 -97.47 124.72 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' CG2' ' HB ' ' A' ' 99' ' ' VAL . 2.5 t -117.47 149.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 4.2 p -137.52 101.88 8.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HB3' HD11 ' A' ' 96' ' ' LEU . 18.4 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -52.09 20.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' OD1' ' A' ' 84' ' ' ASN . 2.9 mp -75.26 -40.47 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 99.0 t -52.62 -54.22 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -52.77 -48.38 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.1 -40.72 77.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 15.7 m120 -68.22 -34.76 76.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.53 -27.49 45.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.2 mtp180 -70.35 -30.06 66.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.8 pt-20 -80.8 -25.71 37.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -118.45 18.46 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.5 t-20 40.91 28.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 88' ' ' PHE . 39.5 t30 -73.88 154.53 39.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 96.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -45.06 -48.21 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.615 ' HB3' ' CZ3' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.55 -48.72 76.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.588 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 2.1 ttpp -56.16 -53.16 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.9 -28.12 21.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.577 HD12 ' CD2' ' A' ' 13' ' ' LEU . 1.1 tt -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 3.3 mp -48.71 -29.06 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.5 mt-10 -68.59 -55.49 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 5.8 m -59.36 -23.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 21' ' ' LEU . 77.9 t -77.92 -57.74 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.482 HG13 ' CD1' ' A' ' 105' ' ' LEU . 3.2 pt -67.61 -16.75 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -52.77 -47.19 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.7 85.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 24' ' ' ILE . 60.0 mt -65.26 -48.53 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' CD1' HG13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -51.39 -52.97 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.6 ' CD2' ' OH ' ' A' ' 110' ' ' TYR . 2.8 m-70 -49.85 -34.77 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.632 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.458 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 2.5 mt -85.9 -24.66 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -72.19 -30.05 64.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.63 165.82 16.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 114' ' ' PHE . 14.0 m-85 -140.97 -168.87 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -118.46 170.17 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -43.37 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER 58.46 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 110' ' ' TYR . 26.8 p90 -125.31 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -129.7 152.13 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 42.38 80.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -177.87 162.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.75 -30.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 117' ' ' LYS . 70.2 m 40.17 65.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.71 -51.92 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -41.84 41.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.62 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -50.2 -52.49 35.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.27 -37.31 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -65.25 -36.24 83.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -34.68 78.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.83 -30.73 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -78.51 -17.5 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -52.38 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -30.11 65.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.478 ' CG2' HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -62.6 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.8 mt-10 -59.6 -46.01 90.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.63 -58.46 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 97' ' ' LEU . 75.2 t -65.98 -36.96 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.588 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.9 t90 -65.28 -13.14 57.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 107.985 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.64 -29.81 12.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.5 -58.71 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.615 ' CZ3' ' HB3' ' A' ' 93' ' ' GLU . 8.0 m95 -54.64 -21.56 10.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 2.0 mmm180 -60.54 -17.41 45.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.3 m -79.53 -10.69 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 1.3 p30 -146.52 63.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -74.99 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -36.55 120.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -38.51 138.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 t70 67.94 109.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.7 m -98.11 175.57 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 t0 64.25 127.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -173.73 97.12 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.78 -154.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.551 ' N ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.47 0.176 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.2 mp -140.72 152.71 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -120.84 133.21 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.57 142.56 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -148.8 162.74 39.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.18 -166.82 46.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.3 mt-10 -134.01 143.52 48.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.03 129.51 1.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -39.81 105.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 164.69 -33.36 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.469 ' CA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -55.67 -52.4 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -66.56 -38.42 87.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.586 HD11 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -54.3 -36.99 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -69.75 -49.68 50.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.37 -27.73 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 12' ' ' LYS . 11.2 m-20 -65.82 -44.49 85.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.63 38.43 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -58.04 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -30.01 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.97 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 104' ' ' ILE . 1.2 mt -79.94 -32.71 40.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 5.3 mt-10 -60.43 -16.91 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.6 mt-10 -79.24 -54.15 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 17.3 pt -51.84 -51.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.572 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -52.5 -52.24 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -66.23 -25.22 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.57 -66.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -87.89 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER 179.64 121.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.477 ' O ' ' CG1' ' A' ' 32' ' ' VAL . . . -102.51 -98.85 2.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 27.8 t70 40.78 40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.552 ' C ' ' CD2' ' A' ' 33' ' ' HIS . 33.0 m -125.32 -170.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 24.7 m-70 -152.18 106.64 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.612 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.34 108.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.8 m120 -91.37 116.52 28.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.2 t -101.91 128.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.567 HG23 ' CE2' ' A' ' 75' ' ' TYR . 2.4 mp -108.74 115.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' CA ' ' A' ' 11' ' ' SER . 8.6 mt -87.81 114.76 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 32.9 m -136.91 137.59 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 52.6 p -78.69 -165.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.36 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -36.46 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 61' ' ' LEU . 13.9 tt -81.75 -31.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -50.4 -47.73 56.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.81 -49.73 12.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 75' ' ' TYR . 1.1 tm? -47.4 -26.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 7.3 t-20 -65.66 -54.62 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.29 -25.76 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -49.2 -27.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 6.7 m-85 -129.03 -45.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -71.46 -23.43 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.44 8.26 62.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 9.7 pt20 -114.36 143.14 45.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.729 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.17 97.83 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' CG ' ' HG3' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -173.68 119.49 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.35 22.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.7 t -156.81 173.49 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' OG1' ' A' ' 58' ' ' THR . 4.8 m-20 -66.81 -65.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 76' ' ' VAL . 4.3 p -134.87 135.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.3 127.29 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 t -95.42 137.81 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 5.5 t80 -77.84 148.12 75.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 106.4 2.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.5 pt? -177.26 49.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LEU . 5.0 tpt -34.6 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 2.2 mt-10 55.06 -154.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER 87.59 39.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 1.0 OUTLIER 85.95 -44.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 75.25 124.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -173.87 33.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.56 -137.54 9.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -136.27 114.37 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.802 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.4 tt -97.76 140.93 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.567 ' CE2' HG23 ' A' ' 37' ' ' ILE . 20.5 m-85 -103.83 133.83 48.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG12 ' CG2' ' A' ' 99' ' ' VAL . 59.1 t -131.17 151.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 46.7 t -135.99 104.36 9.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -52.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.8 mt -74.82 -43.54 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 75.3 t -52.6 -50.66 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.4 -51.95 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.22 -29.99 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.35 -48.67 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -63.51 -27.85 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -67.53 -38.79 84.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -80.94 -25.33 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -107.97 13.99 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.3 t-20 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.454 ' N ' ' C ' ' A' ' 88' ' ' PHE . 45.8 t30 -80.96 157.8 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.459 ' CB ' ' HB3' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -71.95 98.44 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.1 t80 -47.48 -44.27 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.595 ' HB3' ' CZ3' ' A' ' 137' ' ' TRP . 1.4 pm0 -62.4 -38.65 90.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -66.08 -47.68 73.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.447 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 tt0 -57.12 -43.03 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.53 -31.04 63.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -62.43 -31.03 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 44.9 mt-10 -61.54 -56.7 17.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.499 ' CG2' HG12 ' A' ' 76' ' ' VAL . 4.2 m -61.88 -23.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.9 t -69.75 -57.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 36.9 pt -76.27 -16.37 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 15.3 t-80 -50.46 -28.05 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.35 6.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 76.5 mt -69.47 -44.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -48.93 -44.25 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.586 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 2.0 m-70 -53.78 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 29' ' ' ILE . 1.9 tm? -55.54 -31.02 61.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -62.34 -30.25 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.549 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . 143.08 177.92 18.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.636 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER 176.27 -170.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -123.69 63.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.4 m80 71.41 -72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.634 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.43 ' HG3' ' CE ' ' A' ' 66' ' ' MET . 10.0 tt0 -172.46 122.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -93.63 52.52 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.57 178.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.73 79.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -167.94 -62.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -162.53 164.9 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.441 ' OG ' ' HB3' ' A' ' 122' ' ' MET . 9.7 p -138.88 132.77 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -86.75 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -56.8 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.441 ' HB3' ' OG ' ' A' ' 119' ' ' SER . 43.7 tpp -55.73 -26.62 46.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.4 t80 -50.54 -39.92 50.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.05 -57.76 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -41.66 71.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.541 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 16.3 tt0 -67.62 -37.52 82.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -69.19 -25.12 64.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.465 ' HB2' ' CD1' ' A' ' 101' ' ' ILE . 3.9 m-85 -73.39 -38.12 65.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.2 t -61.92 -42.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.89 -37.48 86.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -45.81 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.434 ' CG1' HD22 ' A' ' 97' ' ' LEU . 94.3 t -72.39 -40.56 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.508 ' CB ' ' O ' ' A' ' 130' ' ' VAL . 9.8 t90 -73.78 -13.65 60.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.01 -29.54 20.76 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.75 -59.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.595 ' CZ3' ' HB3' ' A' ' 93' ' ' GLU . 10.9 m95 -54.67 -22.5 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 134' ' ' TRP . 8.2 mmm-85 -52.07 -34.81 45.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.4 m -69.9 -14.53 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.97 69.18 64.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -74.98 -87.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -38.4 152.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.8 13.4 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.35 132.08 52.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.81 88.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.21 147.95 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.84 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 141.82 52.29 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -163.79 150.01 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' O ' ' HG2' ' A' ' 1' ' ' MET . 21.9 ttp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 4.7 mp -138.82 157.88 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.7 mtt-85 -96.69 114.62 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 mt -102.03 106.28 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -126.76 166.47 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.82 -170.05 33.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.46 132.68 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.14 141.79 3.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -38.96 115.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.73 -37.57 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 42.0 t -57.9 -54.11 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -72.23 -43.2 64.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 5.6 tp -50.17 -32.41 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -75.86 -45.21 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.61 -20.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -72.89 -48.83 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' CD2' ' CD2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -126.79 47.13 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -75.22 -58.13 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -49.92 -27.66 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -43.59 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 133' ' ' VAL . 1.2 mt -79.46 -28.74 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 36.4 mt-10 -63.8 -17.85 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.9 mt-10 -79.82 -53.61 6.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.505 ' CD1' HD13 ' A' ' 104' ' ' ILE . 20.0 pt -50.96 -49.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.501 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 0.8 OUTLIER -57.14 -52.43 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -53.21 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -41.24 -61.61 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.2 tt -151.69 -58.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 104.12 161.98 24.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 62.69 82.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -128.15 -178.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 13.9 m-70 -146.09 99.38 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 t -126.0 110.47 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 73' ' ' GLU . 12.4 m-20 -99.08 116.96 32.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.2 126.65 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 75' ' ' TYR . 5.3 mp -105.33 109.25 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 6.1 mt -77.47 123.75 26.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 77' ' ' CYS . 27.5 m -146.96 142.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 70.6 p -76.12 -165.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' CB ' HD21 ' A' ' 79' ' ' LEU . 30.6 tt0 -73.72 -49.26 26.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 -28.2 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.42 -34.07 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.475 HG12 ' CD1' ' A' ' 61' ' ' LEU . 12.1 tt -85.55 -25.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -46.63 78.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.84 -48.54 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.5 tm? -45.92 -30.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.5 t-20 -62.11 -54.4 41.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -72.81 -29.17 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -45.43 -29.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -129.77 -45.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 4.9 tpt180 -70.23 -22.6 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.2 3.48 57.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -107.24 136.88 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.11 95.69 9.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.05 130.7 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 4.7 t -164.8 178.42 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' OG1' ' A' ' 58' ' ' THR . 5.7 m-20 -71.86 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.01 136.69 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -96.47 131.08 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -122.16 143.33 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 73' ' ' GLU . 2.3 m-85 -79.37 168.58 25.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 111.28 3.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.6 mt -138.76 -72.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.68 26.21 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.16 -175.44 2.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -98.13 46.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.31 93.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' TYR . 1.6 t -54.65 -63.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 87.9 t80 36.06 39.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -136.03 -150.2 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -127.17 147.17 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 pt -138.46 151.67 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 37' ' ' ILE . 10.8 m-85 -110.52 131.86 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 99' ' ' VAL . 46.0 t -125.2 152.55 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' SG ' ' CD1' ' A' ' 80' ' ' ILE . 39.8 t -142.12 103.65 5.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -0.19 9.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -71.82 -55.3 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.46 ' CD1' ' SG ' ' A' ' 77' ' ' CYS . 4.5 mp -72.04 -39.13 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 73.3 t -56.27 -45.85 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.58 -50.15 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -39.17 92.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 1.1 m-80 -66.72 -31.19 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.54 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -66.79 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.1 pt-20 -84.91 -17.89 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.0 9.67 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 48.98 23.44 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -78.32 157.16 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.3 p -82.21 97.55 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -43.91 -32.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . 8.8 pt-20 -63.46 -52.89 59.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.92 -31.33 72.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.02 -23.31 58.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -77.18 -58.76 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.572 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 2.0 pp -56.96 -26.07 59.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -58.4 -47.05 85.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 76' ' ' VAL . 4.5 m -64.72 -24.9 36.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 21' ' ' LEU . 25.2 t -71.91 -55.06 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.499 ' CD1' HG23 ' A' ' 130' ' ' VAL . 5.9 pt -65.68 -17.19 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 2.6 t-80 -51.93 -40.13 60.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -47.81 7.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.505 HD13 ' CD1' ' A' ' 24' ' ' ILE . 96.8 mt -60.85 -54.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -51.58 -39.81 58.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.703 ' CD2' ' CE2' ' A' ' 110' ' ' TYR . 7.6 t-160 -50.96 -61.38 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.61 -16.7 63.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -68.91 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.16 129.89 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -121.76 178.52 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 112' ' ' HIS . 1.3 p30 156.41 -177.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.513 ' CB ' ' O ' ' A' ' 111' ' ' ASP . 4.0 t-80 88.39 -71.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.656 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 172.69 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.603 ' CZ ' ' OH ' ' A' ' 110' ' ' TYR . 23.1 t80 51.95 31.2 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -97.02 142.04 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.25 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -177.18 -61.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -178.2 169.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.231 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m -165.46 111.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -81.93 -50.97 8.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.24 -51.82 68.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.562 ' HE1' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.57 -47.41 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.413 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 6.4 t80 -54.91 -41.96 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.4 -61.1 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -54.97 -35.5 64.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 122' ' ' MET . 1.1 tt0 -67.07 -37.96 84.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -17.34 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -57.11 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 7.0 m-85 -73.25 -37.79 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.499 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.98 -46.16 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -37.05 86.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.67 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG2' HD21 ' A' ' 21' ' ' LEU . 55.1 t -74.25 -54.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.568 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 10.9 t90 -59.68 -17.32 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.29 -22.71 15.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.49 -54.89 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.672 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 17.7 m0 -69.56 -20.65 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' TRP . 7.3 ttt180 -52.68 -31.04 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -11.11 38.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.2 99.37 24.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.88 15.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t 60.98 -98.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -154.11 21.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.9 -171.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.63 53.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.03 145.61 29.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.82 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 145.02 100.46 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.22 132.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 1' ' ' MET . 1.6 tmm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.176 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.4 mp -114.45 151.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.58 138.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.58 135.33 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 ' CG ' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -144.39 163.4 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.35 -161.15 38.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -140.98 144.03 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.37 131.02 2.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.74 111.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 -35.48 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.465 ' CA ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -58.31 -54.3 48.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.006 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -75.32 -42.89 53.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -50.32 -39.67 46.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -65.03 -42.78 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -50.99 -23.84 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 13' ' ' LEU . 87.6 m-20 -60.8 -43.91 97.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD23 ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -121.36 44.52 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -50.52 46.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -23.9 67.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -40.98 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -80.58 -32.66 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 1' ' ' MET . 6.2 mt-10 -55.97 -21.55 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.32 -53.19 11.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.9 -42.22 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -59.96 -48.55 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -68.26 -50.42 53.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LYS . 2.9 ttmm -39.75 -60.77 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 107' ' ' LEU . 9.5 tt0 -47.29 -61.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.9 tt -156.7 -47.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 90.89 48.56 3.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -160.22 50.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.545 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 12.4 m -116.53 -176.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 9.7 m-70 -149.91 101.23 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.8 t -110.74 101.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 1.7 m-80 -103.46 104.04 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 m -85.46 151.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.575 HG23 ' CE2' ' A' ' 75' ' ' TYR . 3.3 mp -121.03 114.29 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' CA ' ' A' ' 11' ' ' SER . 5.5 mt -86.2 120.47 27.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 20.4 m -145.32 138.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 8.3 m -72.16 -165.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -71.71 -45.78 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.49 -39.15 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.69 -38.79 92.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 61' ' ' LEU . 5.5 tt -79.17 -33.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -51.41 -46.72 62.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 3.8 mt-10 -78.51 -49.63 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 75' ' ' TYR . 2.3 tm? -45.6 -30.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -77.38 -51.67 10.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.5 mt-30 -57.14 -25.94 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -48.48 -35.78 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.96 -46.64 1.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -69.81 -22.04 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.6 16.57 11.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 7.5 mt-30 -115.98 141.72 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 4.1 t0 -96.21 94.32 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -175.42 132.76 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.27 33.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -139.5 8.52 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 4.4 m-20 77.84 -52.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.06 124.83 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.9 132.36 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 135.73 53.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' CE1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -78.88 135.65 59.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.99 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.551 ' O ' ' C ' ' A' ' 66' ' ' MET . 1.1 pt? -168.89 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.551 ' C ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -24.22 -58.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' MET . 0.2 OUTLIER 34.35 -149.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.02 3.72 41.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 70' ' ' VAL . 19.5 p-10 172.89 111.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 p -37.67 -59.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 85.8 t80 35.08 39.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.16 -123.95 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' ' CD2' ' A' ' 63' ' ' PHE . 0.7 OUTLIER -131.86 159.43 38.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.2 tt -143.34 130.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CE2' HG23 ' A' ' 37' ' ' ILE . 16.4 m-85 -92.26 135.46 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG2' HG23 ' A' ' 99' ' ' VAL . 92.3 t -134.51 158.83 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 53.8 t -146.56 103.8 3.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -51.19 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.4 -39.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 83.4 t -52.74 -53.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.53 -51.97 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.16 -38.95 68.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.75 -47.44 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -55.8 -27.1 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -67.94 -40.33 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 4.4 pt-20 -85.5 -28.82 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -103.16 12.36 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.1 t-20 38.8 30.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 88' ' ' PHE . 10.3 t30 -79.53 155.64 28.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.569 HG21 ' CH2' ' A' ' 134' ' ' TRP . 1.1 p -72.9 97.86 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -52.17 -27.36 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mt-10 -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.65 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.36 -54.15 50.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.07 -21.36 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 1.5 tm? -84.28 -59.57 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.65 ' CD2' ' HA ' ' A' ' 94' ' ' LYS . 2.0 pp -59.24 -27.51 65.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 94' ' ' LYS . 1.1 pp20? -58.44 -29.69 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.48 HG23 ' CG2' ' A' ' 76' ' ' VAL . 2.6 m -78.56 -28.46 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG21 ' CD2' ' A' ' 14' ' ' LEU . 41.2 t -67.21 -57.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 12.5 pt -61.2 -20.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 1.6 t60 -53.32 -41.64 65.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.17 -51.04 5.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.5 mt -55.6 -54.0 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.7 OUTLIER -50.69 -46.33 58.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -57.03 -34.8 68.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.638 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 71' ' ' TYR . 3.0 mt -81.41 -19.61 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 110' ' ' TYR . . . -56.3 -19.69 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 110' ' ' TYR . . . 72.89 144.59 0.6 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.57 ' CE2' ' HE1' ' A' ' 122' ' ' MET . 51.9 m-85 -155.49 -178.08 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 112' ' ' HIS . 0.4 OUTLIER -68.54 76.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 111' ' ' ASP . 41.4 t-80 82.86 -60.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER 179.93 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 115' ' ' GLU . 37.2 p90 -48.46 -44.67 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.642 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 19.1 tt0 79.05 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -112.4 -73.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -83.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.22 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.9 p -116.93 -51.41 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -50.97 -44.3 60.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 116' ' ' ASP . 22.1 tp10 -73.83 -51.84 15.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.57 ' HE1' ' CE2' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -50.69 -31.44 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -78.12 -31.7 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -61.2 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.551 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -57.87 -26.91 62.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 10.5 tt0 -70.14 -32.09 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -19.0 57.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -53.04 41.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.551 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 13.2 m-85 -72.64 -32.44 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.484 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -63.12 -51.77 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -58.38 -24.76 60.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 2.3 mt-10 -82.93 -47.64 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 97' ' ' LEU . 24.5 t -68.76 -52.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.623 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 13.8 t90 -61.93 -15.55 44.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.2 -25.81 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -86.35 -52.6 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.664 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 8.3 m0 -65.96 -19.32 65.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.003 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 134' ' ' TRP . 1.5 ttp180 -47.96 -40.11 21.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.6 m -55.7 -18.12 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.92 90.03 26.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.38 59.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.39 15.75 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -132.48 87.78 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.4 p -98.14 82.49 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.57 125.1 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 176.07 98.09 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 66.06 177.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.401 ' HA ' ' NH1' ' A' ' 150' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.491 0.186 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.0 mp -100.42 148.13 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.508 ' CB ' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.77 122.69 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mt -109.81 124.46 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -148.97 165.54 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.48 -38.14 3.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.5 mt-10 59.97 148.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 137.76 156.5 7.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 9.6 tttt -38.48 104.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.27 -27.65 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.097 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.4 p -58.49 -54.08 51.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -35.33 80.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -60.39 -33.45 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -76.32 -51.71 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.02 -20.67 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.78 -49.89 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.89 41.71 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -41.64 61.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.72 -33.56 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CD2' HG12 ' A' ' 100' ' ' VAL . 13.3 mt -80.32 -34.67 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -60.29 -20.14 57.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.08 -52.38 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.47 -42.97 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG2' ' CG1' ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.32 -30.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -53.96 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.07 78.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.15 -60.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tt -137.91 -53.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.21 -30.11 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.4 124.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' CG1' ' CG2' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -128.97 178.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -131.57 103.62 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -121.96 104.5 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.508 ' OD1' ' CB ' ' A' ' 3' ' ' ARG . 5.2 m-20 -89.91 103.16 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.01 126.87 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 HG21 ' CD2' ' A' ' 75' ' ' TYR . 2.7 mp -106.46 106.74 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.5 mt -87.0 119.69 27.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 44' ' ' ILE . 32.7 m -146.45 138.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 8.1 m -66.63 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 80' ' ' ILE . 27.4 tt0 -69.6 -51.17 37.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -39.95 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 40' ' ' SER . 20.2 mm-40 -59.26 -38.74 80.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -82.36 -33.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.18 -47.63 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.9 mt-10 -78.47 -45.21 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 75' ' ' TYR . 1.7 tm? -43.85 -37.13 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t-20 -64.47 -49.72 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -70.57 -23.71 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' GLU . 52.3 mt-30 -60.59 -21.88 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -129.85 -54.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -70.85 -24.75 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.56 -11.97 49.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -85.91 145.59 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.2 95.28 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -173.51 131.62 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 61' ' ' LEU . 1.6 t -154.63 172.64 17.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' OG1' ' A' ' 58' ' ' THR . 10.5 t0 -64.24 -56.85 11.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.1 p -153.63 138.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -96.21 126.13 41.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -105.9 151.04 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -103.3 149.08 36.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.96 4.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.793 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 66' ' ' MET . 0.2 OUTLIER 175.6 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' LEU . 11.5 ptm 29.64 41.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 mt-10 -94.97 -168.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.96 58.43 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' TYR . 1.3 m-20 165.15 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG2' ' NE2' ' A' ' 106' ' ' HIS . 1.5 t 67.89 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER 37.64 39.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -125.63 -157.34 9.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.57 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 16.8 pt-20 -139.27 123.92 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.6 tt -107.5 133.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CD2' HG21 ' A' ' 37' ' ' ILE . 25.3 m-85 -96.57 141.02 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.523 ' CG1' HG23 ' A' ' 99' ' ' VAL . 92.4 t -137.17 148.49 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.443 ' N ' HG12 ' A' ' 76' ' ' VAL . 1.8 p -137.2 102.23 9.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -1.34 11.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -73.65 -53.18 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 3.3 mp -74.99 -40.0 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.0 t -55.74 -54.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' ARG . 4.2 tt0 -52.69 -50.24 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.92 -44.12 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 18.2 m120 -64.44 -34.86 79.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -77.91 -28.24 49.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.7 mtp180 -70.36 -27.38 64.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.3 pt-20 -85.21 -25.8 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -117.96 20.49 13.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.77 31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 88' ' ' PHE . 32.3 t30 -74.29 156.81 36.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 93' ' ' GLU . 3.8 m -73.5 97.0 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.26 -40.24 67.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' CB ' ' CE3' ' A' ' 137' ' ' TRP . 5.0 pt-20 -56.38 -55.64 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 9.6 ttpt -63.3 -36.92 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -40.72 69.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.525 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 9.6 tt -76.36 -43.78 39.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 2.0 mp -50.2 -42.81 52.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 26.3 mt-10 -55.61 -48.48 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 3.0 m -63.94 -24.81 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.493 HG12 ' CD2' ' A' ' 21' ' ' LEU . 65.0 t -78.23 -58.27 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 105' ' ' LEU . 37.3 pt -68.79 -17.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.489 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -51.29 -23.92 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.37 -47.28 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 108' ' ' ALA . 6.3 mt -79.85 -48.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.617 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -46.12 -50.69 15.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' NE2' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -63.42 -41.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.602 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.495 ' HG ' ' CE1' ' A' ' 106' ' ' HIS . 1.1 mt -77.8 0.87 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -80.26 -6.11 57.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . 157.57 -154.52 25.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 122' ' ' MET . 0.3 OUTLIER 64.87 179.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -163.14 76.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 113' ' ' GLU . 18.5 m-70 69.99 153.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' HIS . 2.7 tt0 86.61 -44.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 110' ' ' TYR . 77.8 m-85 -72.73 -24.43 60.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.38 88.91 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 139.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.83 -70.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.11 161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -82.23 -36.16 27.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -47.02 28.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.569 ' HE2' ' CE2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -57.31 -50.36 73.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.2 -32.54 71.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -59.97 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -42.22 63.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.384 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.458 HE22 ' CE1' ' A' ' 102' ' ' HIS . 30.1 tt0 -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -30.36 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -57.37 6.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.37 -37.72 65.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -56.42 -44.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.53 -41.68 83.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -44.11 97.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.409 ' CG1' HD23 ' A' ' 97' ' ' LEU . 96.0 t -76.64 -41.86 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.518 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 8.8 t90 -66.74 -13.58 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 107.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.5 -28.16 14.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -87.68 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.566 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -56.63 -20.82 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 108.047 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -47.66 -38.59 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.0 m -56.67 -17.56 9.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.46 86.85 39.95 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.0 -161.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.5 OUTLIER -37.09 153.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 144' ' ' ASP . 1.5 mm-40 -76.38 -1.02 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 143' ' ' GLU . 3.1 t70 81.98 153.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.9 p -173.2 46.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -150.37 156.54 37.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -24.93 12.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 131.58 52.0 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 13.1 tttp 41.19 62.6 1.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.296 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' N ' HG11 ' A' ' 32' ' ' VAL . 33.8 mmt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.486 0.184 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.12 153.51 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -146.04 142.31 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -117.28 146.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -149.07 163.34 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.21 -132.88 11.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 pt-20 -166.01 142.67 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.42 139.68 3.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -44.23 125.41 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.73 -30.78 1.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -56.89 -54.29 48.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.784 . . . . 0.0 109.981 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -43.97 91.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -55.27 -30.86 60.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -73.43 -52.45 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -52.26 -22.42 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.3 -51.27 18.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -103.74 32.86 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -70.42 -50.74 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.0 pt-20 -61.91 -35.28 77.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 11.2 tptt -60.67 -41.72 95.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 14' ' ' LEU . 1.7 mt -75.84 -27.79 57.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.7 mt-10 -66.6 -19.78 65.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 1.9 mt-10 -78.37 -53.54 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 18.9 pt -51.71 -49.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 22' ' ' GLU . 3.4 m -61.69 -43.5 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 19.9 tttm -58.29 -40.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -63.27 -52.03 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.31 -60.22 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.76 -59.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 98.38 34.25 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -164.11 64.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 1' ' ' MET . 7.6 p -124.22 171.56 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.74 108.96 6.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.561 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.4 t -112.99 105.43 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 2.3 m-20 -95.21 104.19 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -91.22 129.79 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.687 ' CG2' ' CE2' ' A' ' 75' ' ' TYR . 3.0 mp -101.94 108.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' GLU . 22.7 mt -81.42 121.87 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 HG22 ' CG1' ' A' ' 44' ' ' ILE . 11.5 m -150.24 142.62 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.452 ' CB ' HD13 ' A' ' 79' ' ' LEU . 50.1 m -81.2 -170.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -67.84 -49.0 64.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -35.48 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.11 75.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' CG1' HG22 ' A' ' 39' ' ' VAL . 6.1 tt -84.86 -30.59 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -47.17 45.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.63 -43.52 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 75' ' ' TYR . 1.5 tm? -50.64 -51.59 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 23.7 t-20 -59.58 -33.99 72.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 5.9 mt-30 -64.38 -25.59 68.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.09 -22.94 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.65 -49.89 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -31.72 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.88 -0.88 70.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 16.7 pt20 -133.34 167.86 19.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -86.59 100.87 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 4.9 mmm180 -143.08 104.14 5.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 61' ' ' LEU . 9.6 t -166.43 164.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.74 -48.91 72.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 61' ' ' LEU . 1.5 p -155.97 137.36 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 58' ' ' THR . 0.1 OUTLIER -97.21 127.99 43.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -117.53 144.1 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 2.7 m-30 -78.05 152.86 79.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.513 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 64' ' ' PRO . 44.7 mt -152.97 69.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.52 56.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -131.3 178.39 6.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 1.3 mt-10 -88.11 38.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 2.5 t70 162.9 102.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CA ' HD13 ' A' ' 65' ' ' LEU . 16.7 m -69.88 -40.87 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 85.9 t80 37.22 30.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -116.37 -124.21 3.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 pm0 -142.78 153.12 42.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pt -137.85 129.57 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.687 ' CE2' ' CG2' ' A' ' 37' ' ' ILE . 25.4 m-85 -85.46 119.16 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG1' HG22 ' A' ' 99' ' ' VAL . 80.1 t -107.15 151.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 51.0 t -149.04 93.72 4.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 108.334 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 3.86 5.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -70.43 -57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.8 -42.3 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.4 t -52.12 -55.96 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.9 -37.16 75.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.71 -36.54 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 43.1 m-80 -76.28 -39.97 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -65.85 -25.57 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -64.55 -54.47 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -75.42 -38.22 59.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -88.91 9.09 26.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 38.53 31.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 88' ' ' PHE . 40.1 t30 -75.23 156.28 35.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.527 ' CG2' ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.11 97.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.368 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -53.6 -36.85 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.606 ' CB ' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -65.2 -40.54 94.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -71.63 -34.92 70.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.04 -47.22 85.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 ' CD1' ' CD2' ' A' ' 13' ' ' LEU . 4.0 tt -72.92 -30.67 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -60.55 -27.7 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 102' ' ' HIS . 51.5 mt-10 -70.37 -58.03 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 96' ' ' LEU . 22.7 m -56.4 -23.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 96' ' ' LEU . 73.2 t -73.64 -58.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 126' ' ' GLN . 29.4 pt -72.57 -16.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLU . 12.1 t-160 -50.65 -30.73 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.79 -50.52 5.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 77.2 mt -66.31 -54.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -48.37 -47.37 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' LEU . 1.9 m170 -52.85 -28.41 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.1 OUTLIER -88.2 -28.02 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.08 -17.05 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.68 129.9 4.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -75.32 177.35 6.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.733 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -81.42 -17.57 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.08 -54.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -154.22 -44.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 122' ' ' MET . 0.5 OUTLIER 45.03 43.93 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -134.71 42.54 2.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.65 27.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 144.4 17.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 119' ' ' SER . 52.6 t-20 -42.48 -65.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 118' ' ' ASN . 0.4 OUTLIER 157.44 53.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -55.1 4.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.4 -47.97 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.565 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -50.49 -32.28 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 127' ' ' LYS . 74.7 t80 -54.75 -34.53 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.88 -62.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.47 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -59.19 -33.45 70.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 18.8 tt0 -69.74 -38.06 76.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -71.91 -22.06 61.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.51 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.47 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 9.8 m-85 -73.01 -37.19 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 134' ' ' TRP . 1.0 OUTLIER -56.32 -40.72 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.06 -51.99 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -53.57 56.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.423 ' CG1' HD22 ' A' ' 97' ' ' LEU . 84.1 t -62.85 -43.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -66.81 -12.87 60.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 107.926 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.77 -32.21 25.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.49 -59.48 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.606 ' CE3' ' CB ' ' A' ' 93' ' ' GLU . 5.5 m95 -54.14 -21.32 8.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.3 OUTLIER -54.61 -32.32 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 m -71.11 -9.03 57.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -143.54 69.53 17.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -37.52 140.53 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.74 13.78 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -143.0 167.85 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.3 m -102.18 149.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.59 125.47 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 149.94 62.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -44.4 136.92 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.0 mp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 124.76 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.92 127.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.524 HD11 ' CG1' ' A' ' 37' ' ' ILE . 1.1 pt? -141.54 162.91 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.24 -150.01 20.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -163.25 142.55 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 135.56 143.77 4.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.2 tttt -40.09 104.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.753 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 176.34 -44.13 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 38' ' ' LEU . 11.8 t -64.57 -54.01 38.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -55.72 -37.18 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -72.64 -29.98 63.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -52.52 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.06 -20.92 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -73.11 -50.35 23.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.81 37.58 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -68.03 -58.43 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 51.7 mt-10 -57.72 -30.18 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -57.88 -41.88 83.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 HG11 ' A' ' 100' ' ' VAL . 7.0 mt -76.36 -34.39 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HA ' HG12 ' A' ' 25' ' ' VAL . 23.9 mt-10 -58.91 -20.36 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.85 -52.68 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 21' ' ' LEU . 42.8 pt -61.66 -45.5 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.3 p -63.15 -41.64 93.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -66.31 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -57.68 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -44.02 -61.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 30' ' ' GLY . 16.8 tt -148.93 -58.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 101.08 49.35 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -166.22 56.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 107' ' ' LEU . 25.5 t -124.79 163.09 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 17.7 m80 -142.75 103.17 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.85 113.1 41.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.7 m120 -93.68 110.96 22.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -97.11 135.02 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.9 mp -112.52 107.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 11' ' ' SER . 14.3 mt -79.7 119.29 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.2 m -144.42 135.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 p -72.11 -165.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 80' ' ' ILE . 19.8 tt0 -68.08 -52.71 32.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -67.45 -43.65 80.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.8 70.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.642 HD13 ' SG ' ' A' ' 77' ' ' CYS . 7.1 tt -80.67 -32.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -47.81 45.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.19 -49.89 11.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.2 tm? -45.14 -33.65 2.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.9 t-20 -65.68 -51.62 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.25 -23.19 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.76 -51.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.11 -24.01 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.05 9.13 70.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' NE2' ' HG2' ' A' ' 52' ' ' ARG . 1.9 pt20 -108.63 150.84 26.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -107.29 96.24 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.11 133.19 0.56 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.29 22.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 t -153.78 172.98 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' OG1' ' A' ' 58' ' ' THR . 8.0 t0 -68.64 -54.78 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.615 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.6 p -154.69 137.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.55 128.1 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.2 m -108.21 147.87 30.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.2 129.65 50.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.645 HG13 ' H ' ' A' ' 71' ' ' TYR . 2.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.645 ' H ' HG13 ' A' ' 70' ' ' VAL . 81.1 t80 41.15 36.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.582 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -113.44 -165.75 16.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.1 pt-20 -126.56 114.77 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -106.97 145.93 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.8 m-85 -108.36 142.0 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 99' ' ' VAL . 75.5 t -131.0 155.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 44' ' ' ILE . 4.7 p -142.21 101.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 1.44 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -73.66 -51.88 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 41' ' ' GLU . 5.3 mp -75.22 -36.77 37.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.709 HG13 ' HG2' ' A' ' 95' ' ' GLU . 96.6 t -59.43 -51.22 75.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.76 -41.11 90.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -53.43 -36.25 61.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 24.6 m-80 -78.64 -38.68 39.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -66.91 -26.54 66.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -54.06 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -78.22 -37.08 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 3.2 t80 -84.0 7.17 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER 38.38 37.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 5.8 t-20 -87.12 160.01 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.414 ' HG1' ' HB3' ' A' ' 94' ' ' LYS . 29.4 p -87.29 98.57 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -42.22 -26.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.8 pt-20 -63.74 -45.83 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -69.55 -51.61 33.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.709 ' HG2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -53.13 -35.46 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.339 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.878 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.3 tm? -81.1 -38.24 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -57.42 -33.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 70.3 mt-10 -58.19 -55.74 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 96' ' ' LEU . 4.9 m -61.47 -27.02 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.824 HG11 HD11 ' A' ' 21' ' ' LEU . 44.1 t -68.72 -57.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.865 HD11 HG23 ' A' ' 130' ' ' VAL . 38.4 pt -74.18 -16.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 106' ' ' HIS . 13.3 t-80 -52.12 -28.6 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.18 6.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.0 mt -73.86 -53.92 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.19 -27.42 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 102' ' ' HIS . 3.1 m170 -64.32 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.53 -1.27 26.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -66.78 -30.29 70.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -39.95 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -26.29 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.497 ' CB ' HD22 ' A' ' 105' ' ' LEU . 27.5 tt0 -81.68 -34.32 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -17.29 56.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -60.71 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 133' ' ' VAL . 19.8 m-85 -66.19 -31.94 73.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.865 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -59.35 -54.69 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.52 ' N ' HG12 ' A' ' 130' ' ' VAL . 7.8 pt-20 -67.65 -34.13 76.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -68.36 -48.65 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.623 HG12 HD21 ' A' ' 97' ' ' LEU . 71.9 t -71.83 -37.45 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.575 ' HB2' HD22 ' A' ' 97' ' ' LEU . 11.5 t90 -74.47 -14.76 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 108.004 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.98 -23.98 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -87.28 -58.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.799 ' CH2' HD13 ' A' ' 13' ' ' LEU . 3.0 m0 -57.44 -21.34 36.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.058 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -33.5 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.7 m -65.29 -12.1 48.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.79 70.4 81.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.05 127.51 52.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.99 108.52 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -128.11 159.26 35.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.14 -169.33 34.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mt-10 -138.83 142.89 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 143.06 134.42 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.8 ttpt -39.82 112.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.764 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 158.48 -28.23 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 t -57.6 -48.9 78.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -33.39 69.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.029 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -63.94 -29.47 70.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.38 -53.32 8.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.36 -20.61 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.25 -37.21 66.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.6 OUTLIER -122.43 34.76 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -57.21 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.96 -24.44 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.653 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -59.28 -34.9 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.678 HD21 ' CG1' ' A' ' 100' ' ' VAL . 6.5 mt -79.75 -32.72 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.1 -22.81 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.5 -49.45 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 104' ' ' ILE . 27.5 pt -71.63 -34.81 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -65.14 -49.67 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -69.06 -38.86 79.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -52.21 -58.29 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -69.05 -59.72 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.1 tp -174.19 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.12 70.65 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.2 t70 -164.98 53.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 33' ' ' HIS . 5.3 p -133.76 178.02 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.681 ' H ' HG22 ' A' ' 32' ' ' VAL . 68.5 m80 -150.15 104.36 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.18 114.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' HB3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -107.83 137.29 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 5' ' ' LEU . 4.2 t -112.31 142.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.928 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.0 mp -116.52 107.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 8' ' ' GLY . 11.8 mt -79.02 116.29 19.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.833 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.0 m -142.6 136.69 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -76.66 -170.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.742 ' HA ' HD11 ' A' ' 80' ' ' ILE . 16.9 tt0 -59.81 -52.61 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.75 -49.55 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.79 -39.48 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.5 tt -82.89 -31.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -49.3 -47.86 46.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.3 mt-10 -79.45 -49.28 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.589 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tm? -45.29 -34.33 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.4 t-20 -66.35 -44.57 82.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.487 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.01 -23.53 59.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.24 -31.37 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -127.36 -53.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -69.55 -17.74 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.45 16.99 11.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.55 135.62 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -92.95 94.54 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -174.97 132.92 0.47 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.1 t -156.32 173.9 16.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 58' ' ' THR . 25.8 m-20 -73.01 -49.02 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.71 136.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.08 126.52 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -90.9 141.11 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 6.4 t80 -79.59 135.74 56.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 107' ' ' LEU . 9.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.602 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -67.73 60.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -111.87 -140.43 8.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.928 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.5 pt-20 -133.77 113.75 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.5 pt -98.52 145.03 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CD1' HD13 ' A' ' 37' ' ' ILE . 18.6 m-85 -102.77 120.47 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 99' ' ' VAL . 42.7 t -111.23 152.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 44' ' ' ILE . 1.8 p -140.62 98.19 7.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.1 Cg_endo -75.0 2.49 6.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -81.57 -47.62 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.742 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.8 mp -79.13 -25.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.626 HG13 ' OE1' ' A' ' 95' ' ' GLU . 42.6 t -76.58 -54.79 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 11.8 pt-20 -48.49 -49.5 35.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 10.6 pt-20 -59.6 -29.0 67.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.82 -34.51 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.03 -28.0 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.6 pt-20 -76.35 -24.61 54.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -117.2 13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 45.69 29.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.436 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 10.6 t-20 -74.59 156.81 36.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.711 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.5 m -72.31 97.63 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.03 -48.29 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.688 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -56.25 -42.22 77.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -64.38 -47.31 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.626 ' OE1' HG13 ' A' ' 81' ' ' VAL . 2.1 mm-40 -57.57 -44.25 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.029 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -65.21 -29.32 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' HIS . 47.4 mt-10 -66.05 -57.77 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 76' ' ' VAL . 31.4 m -56.84 -24.04 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.678 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.5 t -71.09 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.753 ' CD1' HG23 ' A' ' 130' ' ' VAL . 21.5 pt -72.72 -17.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.774 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 35.7 t60 -51.58 -27.98 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -41.78 13.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 24' ' ' ILE . 15.9 mt -79.44 -54.1 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.48 -32.3 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.774 ' CE1' ' CE1' ' A' ' 102' ' ' HIS . 1.9 m-70 -61.43 -56.69 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.544 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.581 ' HB2' HG12 ' A' ' 70' ' ' VAL . 3.2 tt -85.08 8.29 18.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -82.44 -29.87 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.21 -61.11 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 1.5 mttt -56.52 -24.46 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.528 ' HB2' HD22 ' A' ' 105' ' ' LEU . 11.7 tt0 -77.03 -37.27 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -17.89 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -61.03 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 101' ' ' ILE . 16.3 m-85 -65.84 -33.46 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.753 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.23 -55.13 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.43 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.3 mm-40 -63.32 -28.24 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -52.7 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.653 HG13 ' HB3' ' A' ' 20' ' ' LYS . 99.5 t -71.71 -30.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.711 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.6 t90 -78.87 -13.78 59.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.62 -31.0 21.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.11 -57.52 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.015 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.5 m95 -55.07 -21.62 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.98 -43.44 73.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -17.28 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -125.87 77.22 70.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.425 1.75 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.52 126.94 41.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.565 HG21 ' HA ' ' A' ' 11' ' ' SER . 1.9 mt -105.2 135.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -148.68 160.55 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.28 -161.08 35.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 3.4 mt-10 -141.8 141.71 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.75 136.99 3.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.24 107.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 162.96 -30.23 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' HG21 ' A' ' 4' ' ' ILE . 59.9 p -55.6 -53.61 54.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -71.84 -43.01 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -52.03 -31.33 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.6 -52.67 8.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.33 -20.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -71.89 -40.06 69.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -120.94 36.68 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -57.37 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.9 -30.06 71.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 133' ' ' VAL . 6.1 tptt -57.14 -37.14 71.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HG12 ' A' ' 100' ' ' VAL . 1.4 mt -81.35 -30.39 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.78 -21.08 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 mt-10 -72.11 -50.15 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 104' ' ' ILE . 31.6 pt -64.45 -42.39 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.83 -48.33 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 43.1 tttt -67.37 -33.34 75.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.4 tttt -61.58 -43.74 98.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' C ' HG22 ' A' ' 29' ' ' ILE . 5.0 tp10 -78.38 1.89 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 28' ' ' GLU . 10.1 tp 45.01 52.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA3' HD11 ' A' ' 107' ' ' LEU . . . -126.17 89.52 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.26 97.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 107' ' ' LEU . 31.2 m -132.64 -166.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -150.54 120.55 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.5 t -105.83 111.01 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 8.9 m-20 -91.57 108.99 20.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.4 t -98.73 132.03 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.971 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.7 mp -110.55 108.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 7.2 mt -79.62 121.78 25.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HD12 ' A' ' 44' ' ' ILE . 34.0 m -149.6 141.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 44' ' ' ILE . 3.6 p -78.34 -164.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HA ' HG22 ' A' ' 44' ' ' ILE . 37.5 tt0 -74.1 -38.38 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -75.12 -38.3 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.33 -38.9 74.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 40' ' ' SER . 1.3 tt -76.38 -32.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -47.13 57.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.1 mt-10 -79.44 -49.33 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -45.57 -40.73 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.9 t-20 -62.22 -44.15 97.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.0 -23.9 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' GLU . 47.9 mt-30 -62.4 -20.08 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.55 -54.58 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' ASN . 13.6 mmt180 -74.47 -22.1 59.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 62.45 11.95 37.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 6.4 mt-30 -106.77 136.39 46.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -90.84 95.43 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -174.58 128.34 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.564 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.0 t -155.09 171.46 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.5 -52.78 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.38 134.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.0 OUTLIER -94.83 128.97 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 m -111.21 141.44 44.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -84.82 140.19 37.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 71' ' ' TYR . 10.1 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 19.0 t80 38.23 29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.57 -155.09 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 1.1 mt-10 -121.86 119.13 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.958 ' O ' HD12 ' A' ' 37' ' ' ILE . 34.6 pt -107.1 143.08 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.971 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.0 m-85 -103.55 128.26 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 24.5 t -123.06 149.33 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.7 p -138.39 104.0 7.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 1.55 7.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -75.48 -57.36 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.1 mp -70.79 -33.25 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 77' ' ' CYS . 54.3 t -63.93 -50.68 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 92' ' ' PHE . 44.2 mt-10 -65.32 -42.64 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.39 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.89 -52.3 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -56.61 -28.38 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 1.1 mtm105 -61.13 -45.0 96.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.56 -22.12 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -101.19 11.0 40.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 37.0 t30 39.86 29.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' PHE . 48.5 t30 -81.66 156.32 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.688 HG21 ' CH2' ' A' ' 134' ' ' TRP . 19.0 p -74.76 97.61 3.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -48.22 -26.82 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.0 pt-20 -69.04 -43.67 74.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -68.76 -51.37 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.703 ' OE1' HG13 ' A' ' 81' ' ' VAL . 1.3 tm-20 -53.49 -36.09 61.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.7 tm? -80.81 -35.74 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.831 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' HIS . 17.0 mt-10 -62.36 -55.21 30.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 1.7 m -55.47 -25.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 21' ' ' LEU . 73.4 t -76.07 -57.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.905 HD11 HG23 ' A' ' 130' ' ' VAL . 2.4 pt -66.95 -16.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.928 ' HA ' HD23 ' A' ' 105' ' ' LEU . 11.7 t60 -51.86 -39.02 58.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.08 62.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.524 ' CD1' HD11 ' A' ' 24' ' ' ILE . 66.4 mt -80.02 -25.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.928 HD23 ' HA ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -55.35 -44.9 76.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 3.7 m-70 -58.42 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.729 HD11 ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -59.01 -23.8 62.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -57.06 -30.47 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.476 0.179 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 4.2 mttp -64.13 -29.88 70.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.53 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -17.89 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -72.39 -55.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 12.0 m-85 -69.59 -29.97 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.905 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -60.23 -55.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 130' ' ' VAL . 8.6 pt-20 -67.41 -34.13 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.9 OUTLIER -65.19 -47.68 76.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.831 HG12 HD21 ' A' ' 97' ' ' LEU . 72.7 t -79.8 -31.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.688 ' CH2' HG21 ' A' ' 91' ' ' THR . 9.3 t90 -79.49 -12.88 59.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -49.77 -29.04 12.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.92 -57.07 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 93' ' ' GLU . 3.9 m95 -56.57 -20.3 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.34 -28.33 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 m -69.47 -7.45 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.36 79.64 24.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.04 -87.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 61.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 2' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -141.68 127.8 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 38' ' ' LEU . 8.8 mt -89.92 100.72 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -87.45 139.67 30.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.98 -143.31 46.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.61 157.12 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.88 157.57 7.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -40.09 104.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.92 -30.63 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.163 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' HD13 ' A' ' 38' ' ' LEU . 2.1 t -56.27 -54.77 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -69.39 -43.2 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.102 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -51.43 -31.8 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.03 -53.15 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.22 -20.53 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.69 -51.21 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.36 35.66 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -70.79 -50.71 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -61.18 -31.37 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 133' ' ' VAL . 4.3 tptt -59.64 -37.7 79.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.64 ' CD1' HD11 ' A' ' 14' ' ' LEU . 3.9 mt -79.05 -28.7 43.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 7.5 mt-10 -64.04 -20.95 66.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.32 -52.42 10.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 104' ' ' ILE . 39.5 pt -59.83 -46.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.2 p -64.85 -42.52 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 18.8 tttt -64.92 -35.91 82.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -64.46 -42.54 95.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.06 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 30' ' ' GLY . 10.4 tt -140.27 -62.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.64 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 106.0 32.23 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -169.53 92.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -140.92 -169.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' VAL . 1.3 p-80 -151.83 108.6 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 34' ' ' VAL . 2.2 t -129.68 102.1 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.8 m120 -102.09 103.03 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.6 133.8 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.764 ' CG1' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -92.34 107.6 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 4' ' ' ILE . 14.1 mt -81.82 113.58 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' HB ' ' A' ' 44' ' ' ILE . 18.8 m -144.29 136.77 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 p -71.54 -165.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 44' ' ' ILE . 20.3 tt0 -73.17 -41.63 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -43.89 56.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.64 -37.59 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 39' ' ' VAL . 7.5 tt -80.33 -33.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -47.93 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.83 -34.45 45.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.5 -53.0 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.87 -44.84 78.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' OE1' ' CA ' ' A' ' 54' ' ' GLN . 5.5 mm-40 -50.31 -32.2 16.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -53.65 -28.08 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -119.61 -47.69 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -69.69 -30.24 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.76 3.56 55.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CA ' ' OE1' ' A' ' 49' ' ' GLN . 17.6 pt20 -138.34 161.22 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.28 104.23 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 5.7 mmm180 -142.17 104.63 5.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.819 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -167.53 171.4 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -74.68 -47.55 31.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.7 p -155.56 131.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.787 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.37 138.79 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 t -106.91 139.84 40.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 4.8 t80 -80.15 142.1 54.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.661 ' H ' HG13 ' A' ' 70' ' ' VAL . 42.0 p90 37.9 29.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.676 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.17 -111.31 2.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 4.5 pt-20 -146.42 160.63 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.56 132.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 37' ' ' ILE . 46.8 m-85 -83.08 119.02 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 99' ' ' VAL . 33.1 t -112.79 146.24 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.5 ' SG ' HD13 ' A' ' 44' ' ' ILE . 5.1 p -145.28 96.35 4.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.824 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.98 0.07 9.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.38 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 58' ' ' THR . 3.2 mp -76.07 -35.36 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 77' ' ' CYS . 86.0 t -54.12 -52.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.6 -49.47 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -35.99 71.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 80' ' ' ILE . 19.2 m120 -77.92 -30.83 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.985 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -76.72 -36.33 57.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 -26.73 48.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.59 -24.92 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -135.06 -75.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER 169.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.985 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.4 t30 -89.03 134.8 33.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.7 p -73.75 97.93 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -40.69 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 97' ' ' LEU . 13.8 pt-20 -59.23 -53.48 57.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 4.1 ttpt -63.59 -52.22 61.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.98 -30.43 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.961 HD22 HD21 ' A' ' 13' ' ' LEU . 5.6 tt -81.6 -41.43 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.806 HD23 ' HB ' ' A' ' 133' ' ' VAL . 1.6 mp -53.86 -29.23 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 102' ' ' HIS . 76.6 mt-10 -63.98 -52.52 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 96' ' ' LEU . 27.5 m -62.05 -25.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.519 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.3 t -75.92 -57.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.8 ' CD1' HG23 ' A' ' 130' ' ' VAL . 18.5 pt -70.8 -16.47 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 98' ' ' GLU . 68.4 t60 -51.93 -30.18 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.64 -49.81 5.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 60.3 mt -66.54 -52.64 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.849 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.13 -32.63 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.674 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -59.4 -57.45 12.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -11.39 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -65.8 -22.42 66.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.529 0.204 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.78 -54.39 27.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -61.21 -24.37 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' HG3' HD11 ' A' ' 101' ' ' ILE . 1.8 tt0 -81.3 -34.79 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -18.63 51.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.99 -53.38 17.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 101' ' ' ILE . 2.9 m-85 -72.91 -37.34 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.7 t -55.26 -55.34 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.13 -31.0 70.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -54.36 8.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.806 ' HB ' HD23 ' A' ' 97' ' ' LEU . 42.8 t -68.91 -27.13 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.502 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.4 t90 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.94 -26.7 11.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.66 -58.49 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.8 m95 -58.57 -21.14 52.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.5 mmm180 -56.39 -29.32 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -4.51 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -141.88 63.87 16.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.3 Cg_endo -75.01 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.9 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 146.54 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.53 157.02 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 HG13 ' A' ' 37' ' ' ILE . 8.7 mt -130.9 157.97 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.4 -129.95 33.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -163.64 161.53 23.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 144.83 139.75 3.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -38.85 104.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.603 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.38 -27.77 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 3.9 t -60.49 -53.52 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.42 63.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.012 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.1 -30.06 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.775 ' CD2' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.05 -50.71 12.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -51.55 -20.72 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -73.6 -44.85 56.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.794 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -114.28 42.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -54.03 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.14 -35.66 79.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.25 -35.92 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD23 HG21 ' A' ' 133' ' ' VAL . 8.7 mt -80.13 -28.61 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.4 mt-10 -64.56 -19.48 65.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -77.07 -54.02 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -51.71 -46.97 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.654 HG13 HD13 ' A' ' 104' ' ' ILE . 22.7 m -61.42 -43.99 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -67.92 -27.81 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 6.7 tttp -70.39 -43.78 69.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' C ' HG22 ' A' ' 29' ' ' ILE . 1.4 tm-20 -96.78 13.61 27.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 ' C ' ' A' ' 28' ' ' GLU . 8.4 tp 44.13 55.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.86 -59.81 2.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 49.5 80.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 107' ' ' LEU . 4.9 m -148.27 -161.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -138.1 115.33 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 34' ' ' VAL . 2.3 t -106.01 101.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -95.62 99.9 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.1 m -87.39 141.65 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.1 mp -104.64 108.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HG13 ' A' ' 39' ' ' VAL . 8.2 mt -80.67 118.09 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 44' ' ' ILE . 13.9 m -152.33 140.26 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 33.3 p -73.91 -164.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' HA ' HD11 ' A' ' 80' ' ' ILE . 50.0 tt0 -73.02 -43.26 62.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -27.69 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HB2' ' N ' ' A' ' 40' ' ' SER . 45.1 mt-10 -74.83 -42.59 57.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.687 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.0 tp -76.44 -30.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.07 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.26 -46.28 20.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 2.6 tm? -49.63 -53.38 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 5.0 t-20 -56.07 -27.29 52.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -24.82 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.4 -22.02 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -129.87 -53.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 6.2 tpt85 -71.23 -24.15 62.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.28 13.22 35.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.06 140.75 46.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.13 95.32 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.56 128.55 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.653 ' CG2' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -144.39 13.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.5 m-20 76.32 -52.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.3 p -154.87 130.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.653 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.39 133.34 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 t -115.3 149.99 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -85.02 145.67 43.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 11.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 6.9 p90 31.84 37.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -122.32 -138.89 5.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.869 ' HB2' HD11 ' A' ' 37' ' ' ILE . 4.6 pt-20 -129.7 159.1 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 12.1 tt -149.35 117.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 60' ' ' VAL . 85.2 m-85 -76.56 134.51 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 47.7 t -125.1 149.46 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 93.5 7.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.413 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 1.81 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -57.22 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -70.54 -41.66 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 92.3 t -53.37 -53.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 10.7 tt0 -56.02 -45.05 79.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -54.71 -44.3 73.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.51 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.09 -26.89 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 10.9 mtt180 -72.0 -39.68 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.6 -9.65 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -128.99 14.44 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 34.9 t30 38.83 36.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -73.96 171.9 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.51 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 18.0 m -86.37 97.36 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -50.12 -36.68 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 1.1 mp0 -66.48 -46.88 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.4 OUTLIER -64.87 -47.98 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.8 -43.53 69.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.819 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.55 -34.45 65.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.735 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -59.71 -30.45 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' HIS . 27.6 mt-10 -60.56 -56.72 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 2.9 m -61.46 -24.21 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.775 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -68.92 -52.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 130' ' ' VAL . 49.5 pt -80.69 -16.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' GLU . 52.9 t-80 -51.42 -28.73 13.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.89 -51.14 4.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.759 ' O ' HD23 ' A' ' 107' ' ' LEU . 81.4 mt -68.98 -54.93 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.837 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.7 -24.19 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.4 t-160 -58.46 -67.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.54 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.77 -19.76 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -56.66 -22.45 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.981 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.458 0.171 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.95 -54.26 28.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.472 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 5.0 mtmm -55.94 -24.36 37.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.745 ' HB2' HD22 ' A' ' 105' ' ' LEU . 15.0 tt0 -75.92 -38.9 57.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -67.94 -34.81 77.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -53.18 -50.9 63.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 2.7 m-85 -72.76 -45.12 60.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.46 -45.6 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.1 mt-10 -67.38 -42.2 83.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.51 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.735 HG12 HD21 ' A' ' 97' ' ' LEU . 92.2 t -71.85 -39.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.9 t90 -75.95 -13.19 60.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.25 -33.31 23.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.58 -54.02 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.794 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.2 m95 -56.89 -20.14 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.31 -35.32 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -15.74 19.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.76 83.4 14.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -146.26 148.21 32.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.91 149.63 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 37' ' ' ILE . 17.9 mt -129.38 163.06 26.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 54.13 -133.26 45.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.4 156.94 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.81 136.98 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -38.27 104.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.93 -28.34 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.84 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -43.39 81.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.076 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -49.64 -33.71 16.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.0 -47.75 23.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.18 -24.66 7.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -68.87 -47.86 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.34 41.26 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -47.85 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.82 -34.38 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.76 -35.99 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD23 HG21 ' A' ' 133' ' ' VAL . 4.5 mt -79.42 -27.53 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.59 -19.81 65.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -53.24 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.6 pt -51.41 -45.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.66 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -67.17 -48.51 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 25' ' ' VAL . 1.4 tppt? -57.17 -41.48 79.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -60.07 -48.89 79.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.01 -61.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 30' ' ' GLY . 7.1 tp -147.95 -57.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.482 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 90.37 54.77 2.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -169.61 66.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 107' ' ' LEU . 7.5 p -136.07 160.57 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.412 ' N ' HG22 ' A' ' 32' ' ' VAL . 5.1 m-70 -127.25 101.72 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG11 ' HA3' ' A' ' 103' ' ' GLY . 14.2 t -120.21 105.36 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -99.27 138.9 35.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.768 ' C ' HD13 ' A' ' 37' ' ' ILE . 2.8 t -108.72 137.57 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.822 ' N ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -99.63 106.37 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.2 108.31 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.572 HG23 ' HB ' ' A' ' 44' ' ' ILE . 14.8 m -144.44 137.21 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 2.2 p -67.67 -163.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 80' ' ' ILE . 22.8 tt0 -71.81 -49.79 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -35.29 74.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 mt-10 -60.94 -37.47 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.9 OUTLIER -83.29 -30.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -48.39 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 6.0 mt-10 -80.64 -49.13 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.47 -35.31 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 10.4 t-20 -57.46 -55.04 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 7.9 pt20 -69.51 -27.31 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -56.41 -20.9 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.7 m-85 -129.82 -51.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ASN . 19.9 mmt85 -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.6 -1.27 62.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.12 152.67 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -102.35 100.69 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -172.89 126.49 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 174.29 13.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.644 ' CG2' HD12 ' A' ' 61' ' ' LEU . 3.6 t -166.14 170.86 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -69.16 -59.01 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.3 p -145.39 136.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -96.46 129.4 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 m -101.93 130.35 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 12.1 t80 -83.58 141.92 42.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.6 p90 -163.23 45.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.67 -113.32 2.44 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -157.7 160.19 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -137.17 139.99 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.859 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.0 m-85 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.716 HG11 HG21 ' A' ' 99' ' ' VAL . 44.2 t -130.33 151.03 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.85 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.9 m -145.87 101.08 4.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.51 -53.59 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.874 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.7 mp -75.05 -39.42 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 77' ' ' CYS . 62.1 t -53.56 -49.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 15.8 mt-10 -68.87 -48.15 64.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -44.27 73.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -37.73 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -67.07 -28.47 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtm180 -67.21 -35.5 79.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -84.68 -21.87 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.3 t80 -112.04 15.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . 36.8 t30 39.56 30.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' PHE . 14.2 t30 -75.82 158.4 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' HG2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -82.52 97.9 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -52.59 -24.83 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.802 ' HG2' HG22 ' A' ' 91' ' ' THR . 10.5 pt-20 -73.91 -50.41 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 32.5 ttpt -66.37 -42.99 87.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.527 ' CD ' HG13 ' A' ' 81' ' ' VAL . 8.7 tt0 -54.71 -43.21 72.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.831 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.1 tt -74.18 -42.5 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -51.35 -32.4 25.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' HIS . 24.3 mt-10 -62.27 -52.84 62.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 96' ' ' LEU . 10.6 m -63.18 -25.68 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.725 HG23 HD23 ' A' ' 96' ' ' LEU . 44.6 t -71.05 -56.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 130' ' ' VAL . 20.3 pt -75.75 -15.44 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' GLU . 67.0 t60 -51.08 -33.12 24.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 34' ' ' VAL . . . -79.58 -52.83 4.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.66 HG23 HG12 ' A' ' 25' ' ' VAL . 68.0 mt -61.95 -52.67 57.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.54 -36.28 22.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.43 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.16 -47.45 85.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -79.36 -16.91 55.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -66.96 -26.56 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -46.15 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -28.75 66.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 101' ' ' ILE . 5.9 tt0 -80.59 -34.31 35.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -17.43 54.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -67.18 -59.79 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.592 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.3 m-85 -67.53 -36.73 81.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.816 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.04 -56.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.9 tt0 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -48.93 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 21' ' ' LEU . 93.0 t -71.1 -35.26 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.5 t90 -71.3 -13.67 61.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.53 6.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.38 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.73 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.0 m95 -56.37 -21.34 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -52.44 -23.61 6.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 m -75.6 -1.47 24.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.85 81.05 12.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 124.1 42.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.24 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -90.06 145.96 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.73 -148.11 17.97 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.105 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -162.47 168.58 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.86 159.32 8.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -39.54 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.728 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 153.02 -37.33 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 54.3 p -54.98 -53.97 48.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.58 -42.82 99.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.848 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.4 -32.71 62.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.5 -53.51 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.21 -20.03 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -71.52 -37.49 71.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.725 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -127.9 38.88 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -54.28 27.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -20.6 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -62.8 -37.32 86.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 14' ' ' LEU . 16.1 mt -80.54 -34.69 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 25' ' ' VAL . 19.9 mt-10 -54.64 -20.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.16 -52.2 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.738 HG21 ' CD1' ' A' ' 129' ' ' TYR . 11.0 pt -71.45 -26.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.11 -42.55 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -52.59 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -51.54 -45.62 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.49 -61.06 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' H ' ' A' ' 31' ' ' ASP . 5.0 tt -145.69 -53.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.04 -27.2 0.34 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' H ' HG23 ' A' ' 29' ' ' ILE . 13.7 t0 -161.61 130.19 4.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.687 ' CG2' HG22 ' A' ' 25' ' ' VAL . 13.5 t -129.5 159.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.67 110.01 17.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 74' ' ' ILE . 1.3 t -134.84 104.23 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -84.71 126.79 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.07 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.5 mp -94.32 108.09 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 13.2 mt -84.15 111.28 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.873 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.4 m -137.02 131.71 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 11.1 p -69.18 -164.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.72 ' HA ' HD11 ' A' ' 80' ' ' ILE . 17.2 tt0 -70.39 -48.49 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.25 -36.3 71.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' SER . 6.7 mm-40 -64.06 -39.72 94.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.1 tt -79.6 -34.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.54 43.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.1 mt-10 -79.46 -48.94 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.9 tm? -44.71 -42.42 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 6.6 t-20 -57.82 -41.39 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.4 tt0 -79.67 -25.99 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -57.11 -23.96 50.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.04 -50.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -70.22 -19.09 63.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.29 6.18 56.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -110.91 144.06 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -99.47 95.65 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 3.5 ppt_? -174.23 130.04 0.48 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.61 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.3 t -152.87 171.41 18.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 29.7 m-20 -61.76 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 76' ' ' VAL . 12.1 p -146.19 138.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.61 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.67 130.74 46.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.5 m -112.77 148.32 35.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -78.83 146.81 69.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 18.3 p90 33.27 36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.713 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -115.56 -134.18 5.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.7 pt-20 -127.25 151.59 48.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.688 ' N ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -131.31 118.23 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 1.07 ' CD1' HD13 ' A' ' 37' ' ' ILE . 65.1 m-85 -85.29 126.45 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.626 HG21 ' CG2' ' A' ' 99' ' ' VAL . 14.9 t -127.62 148.2 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.775 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.81 104.51 11.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.417 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 -6.37 17.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -73.74 -53.98 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.72 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -76.89 -39.67 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.0 t -56.7 -58.4 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.1 pt-20 -55.88 -46.18 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -52.52 -31.57 36.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 7.0 m120 -78.98 -49.93 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.07 -27.22 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 4.1 mtp-105 -66.88 -43.16 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.5 pt-20 -76.36 -17.64 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.7 t80 -115.77 13.21 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.8 t30 41.22 28.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.699 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 47.7 t30 -81.53 150.39 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.873 HG22 ' HG2' ' A' ' 93' ' ' GLU . 2.3 m -69.69 96.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -43.1 -42.7 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.8 OUTLIER -56.43 -41.57 76.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.549 ' HZ3' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -65.58 -47.94 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.615 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt0 -57.14 -37.37 71.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.848 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -81.2 -29.91 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.734 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.4 -39.32 88.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' HIS . 9.0 mt-10 -58.75 -55.55 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 76' ' ' VAL . 19.4 m -58.13 -22.06 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 97' ' ' LEU . 2.2 t -77.5 -59.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.866 ' CD1' HG23 ' A' ' 130' ' ' VAL . 44.9 pt -71.27 -16.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -54.04 -48.29 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.29 -53.03 49.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 24' ' ' ILE . 47.9 mt -63.54 -42.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -49.03 -52.87 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 12.9 m80 -55.96 -38.29 70.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.96 9.06 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -77.53 -30.14 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.536 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.02 -61.2 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.22 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 105' ' ' LEU . 16.8 tt0 -73.25 -38.49 65.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -24.52 60.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -57.1 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CD1' HG21 ' A' ' 24' ' ' ILE . 12.2 m-85 -72.99 -43.82 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.866 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.22 -51.66 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.2 mm-40 -60.55 -26.0 66.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.57 -52.95 6.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.734 HG12 HD21 ' A' ' 97' ' ' LEU . 95.1 t -66.09 -49.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.861 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.4 t90 -65.49 -13.16 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.77 -31.66 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.8 -56.08 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 93' ' ' GLU . 6.9 m95 -56.41 -20.57 20.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.4 mmt85 -52.41 -30.62 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -14.57 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.74 65.76 47.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 141' ' ' PRO . 50.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 2.3 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.21 123.37 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.97 110.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 35' ' ' ASN . 1.1 pt? -125.62 163.21 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.48 -174.69 40.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.86 140.97 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.34 141.31 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -39.65 105.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.624 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.8 -35.19 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 45.1 t -55.44 -51.29 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.44 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.63 -32.05 12.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.16 -47.98 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.83 -19.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.49 -48.77 21.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -117.7 40.58 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.7 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.68 -58.02 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 2.1 mt-10 -57.91 -35.01 70.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.72 -40.44 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG21 ' A' ' 133' ' ' VAL . 6.5 mt -77.95 -28.87 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' HA ' HG12 ' A' ' 25' ' ' VAL . 5.5 mt-10 -65.94 -20.8 66.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.8 mt-10 -74.91 -52.95 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 104' ' ' ILE . 24.7 pt -54.21 -43.98 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 22' ' ' GLU . 8.8 p -73.28 -41.95 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 3.4 ttmt -53.5 -53.74 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -60.34 -49.79 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -44.8 -60.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.6 tp -138.97 -61.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 160.46 -62.14 0.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.78 147.03 42.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 107' ' ' LEU . 6.2 m -141.04 -158.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 71' ' ' TYR . 20.1 m80 -141.44 97.69 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 34' ' ' VAL . 2.1 t -123.69 102.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.654 ' HB3' HD21 ' A' ' 5' ' ' LEU . 8.3 m-80 -95.64 105.98 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.01 131.0 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.0 mp -114.29 107.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.7 mt -84.12 120.16 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.647 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.6 m -142.8 136.35 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -70.16 -164.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' H ' HD22 ' A' ' 79' ' ' LEU . 34.3 tt0 -73.58 -51.33 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.73 -32.35 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -31.2 69.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.647 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -88.85 -28.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -49.67 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.23 -49.77 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 75' ' ' TYR . 2.4 tm? -44.01 -36.79 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' ND2' HD11 ' A' ' 61' ' ' LEU . 5.3 t-20 -61.18 -50.6 72.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -71.68 -24.8 61.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -58.81 -19.42 41.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -129.93 -53.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.87 -0.22 72.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -105.01 147.21 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.79 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.3 97.87 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -169.23 130.89 1.07 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.78 15.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.552 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -166.2 171.86 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.64 -69.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.442 ' CG2' HG22 ' A' ' 76' ' ' VAL . 1.4 p -136.63 135.47 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.492 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.65 126.31 40.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.427 HG23 HD12 ' A' ' 74' ' ' ILE . 63.8 m -104.07 141.13 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -77.71 128.92 78.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 91.0 t80 41.97 35.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.33 -136.59 3.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.911 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.3 pt-20 -135.6 120.21 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.804 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 37' ' ' ILE . 5.6 tt -104.92 142.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 37' ' ' ILE . 49.7 m-85 -103.66 129.72 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 99' ' ' VAL . 3.0 t -122.03 152.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 81' ' ' VAL . 42.6 t -138.98 99.37 8.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 0.03 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -71.32 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -75.53 -41.96 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 77' ' ' CYS . 61.8 t -53.34 -56.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 12.9 pt-20 -62.91 -47.47 83.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 9.4 tp10 -53.64 -36.56 62.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' ND2' HG22 ' A' ' 80' ' ' ILE . 12.3 m-80 -75.07 -35.94 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -72.52 -28.35 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -63.6 -34.39 77.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -84.8 -20.75 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -109.5 12.31 24.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 34.4 t30 43.49 27.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 88' ' ' PHE . 9.0 t-20 -79.59 156.84 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.6 p -70.91 98.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 1.3 t80 -50.77 -30.36 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.7 pt-20 -73.18 -41.62 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -66.03 -49.76 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.4 -42.13 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.912 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -74.0 -36.62 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -57.12 -29.44 63.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.6 mt-10 -62.51 -56.71 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 96' ' ' LEU . 25.9 m -60.24 -25.58 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 21' ' ' LEU . 25.2 t -69.71 -57.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.808 ' CD1' HG23 ' A' ' 130' ' ' VAL . 23.2 pt -74.55 -16.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.4 t-80 -50.7 -32.44 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.36 -49.59 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 108' ' ' ALA . 69.4 mt -65.63 -54.37 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.1 -27.1 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -66.43 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.563 ' CD1' HG11 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -70.43 -15.96 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -58.87 -17.74 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.479 0.181 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.14 -61.54 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 2.1 mttp -56.53 -29.41 61.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.535 ' O ' HD11 ' A' ' 101' ' ' ILE . 12.4 tt0 -76.06 -36.61 58.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -75.1 -17.4 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -59.34 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 18.0 m-85 -70.19 -37.55 75.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -54.47 -43.7 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 tt0 -60.25 -50.13 74.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -57.72 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 HD23 ' A' ' 21' ' ' LEU . 85.6 t -60.95 -47.89 91.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.3 t90 -64.74 -13.67 55.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.53 -26.18 9.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.22 -62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.736 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.2 m95 -56.3 -20.61 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.12 -32.28 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.6 m -73.26 -17.06 61.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 66.53 72.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.47 111.71 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.57 HG21 ' CB ' ' A' ' 11' ' ' SER . 8.1 mt -86.74 125.47 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -139.09 158.05 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.07 -137.49 13.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -169.96 140.73 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.23 140.49 3.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -40.77 106.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.65 -31.21 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.57 ' CB ' HG21 ' A' ' 4' ' ' ILE . 5.6 t -68.75 -46.91 67.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.048 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.36 73.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.879 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.28 -32.51 64.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.31 -52.38 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.3 -19.12 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -76.11 -49.36 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.25 37.91 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 2.7 pm0 -53.86 -30.43 45.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -65.82 -34.83 79.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 HG21 ' A' ' 133' ' ' VAL . 11.2 mt -80.42 -31.47 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -60.23 -22.84 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.52 -51.96 20.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.617 HG13 HG21 ' A' ' 104' ' ' ILE . 45.4 pt -66.75 -44.51 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -60.22 -43.66 93.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -68.93 -54.16 16.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -44.87 -44.35 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CG ' ' CD1' ' A' ' 107' ' ' LEU . 9.5 tp10 -53.37 -52.16 60.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.613 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.3 tp -145.48 -61.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 152.16 -55.2 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -120.03 120.25 35.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -135.5 -166.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 77.4 m80 -156.25 110.93 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 34' ' ' VAL . 1.1 t -125.37 111.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m-80 -95.4 122.76 38.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.7 t -113.91 128.77 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.956 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.6 mp -107.85 112.54 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.1 mt -85.24 113.43 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.862 ' CG2' HD12 ' A' ' 44' ' ' ILE . 17.4 m -138.56 138.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -75.68 -164.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' ILE . 28.9 tt0 -72.48 -52.23 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -27.05 62.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.41 -32.15 62.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.862 HD12 ' CG2' ' A' ' 39' ' ' VAL . 3.4 tt -87.12 -28.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.97 -48.63 32.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.02 -49.43 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -46.01 -30.16 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 8.0 t-20 -65.55 -56.83 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 3.9 pt20 -71.13 -23.6 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.91 -25.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.98 -50.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 15.7 mmt180 -71.36 -22.1 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 75.07 -1.43 55.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -98.02 134.74 40.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.64 98.55 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -174.31 133.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.437 ' CG2' HD12 ' A' ' 61' ' ' LEU . 4.2 t -160.86 168.31 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 22.1 m-20 -60.38 -68.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 76' ' ' VAL . 14.9 p -137.32 135.74 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.41 130.6 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.6 m -108.74 148.65 30.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -78.24 157.02 78.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG22 ' H ' ' A' ' 72' ' ' GLY . 3.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 81.5 t80 36.67 32.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.49 -145.29 7.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.946 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.7 pt-20 -121.83 120.44 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 19.1 tt -107.71 134.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.956 ' CD1' HD13 ' A' ' 37' ' ' ILE . 45.4 m-85 -96.68 139.6 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.059 HG11 HG21 ' A' ' 99' ' ' VAL . 31.1 t -133.98 152.04 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 24.7 p -142.99 104.23 5.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.97 4.2 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -74.65 -53.37 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.69 -37.78 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.9 t -59.85 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.2 pt-20 -58.96 -47.38 85.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -52.44 -32.8 41.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -79.52 -47.12 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -59.25 -27.96 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -61.07 -40.99 95.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -83.97 -21.29 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -105.5 13.27 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 37.77 32.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 53.5 t30 -86.04 156.26 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.1 p -80.16 97.5 6.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -44.46 -30.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.592 ' O ' HD12 ' A' ' 97' ' ' LEU . 5.6 pt-20 -60.65 -48.01 83.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.52 -44.78 77.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -57.26 -41.05 78.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -77.85 -37.15 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -56.4 -29.17 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 126' ' ' GLN . 23.9 mt-10 -66.2 -56.02 13.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.059 HG21 HG11 ' A' ' 76' ' ' VAL . 3.2 m -55.49 -23.46 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 21' ' ' LEU . 10.9 t -74.8 -58.16 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 130' ' ' VAL . 26.7 pt -68.77 -16.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' GLU . 1.7 t-160 -52.59 -38.25 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -44.8 9.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HG13 ' A' ' 24' ' ' ILE . 74.9 mt -66.2 -55.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -50.72 -36.03 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.443 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -54.12 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.19 -30.08 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -64.31 -28.27 69.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.461 0.172 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.64 -39.64 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -55.9 -56.23 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' NE2' ' OE1' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -61.71 -28.5 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -58.32 -61.65 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.585 ' HB2' HD12 ' A' ' 101' ' ' ILE . 24.3 m-85 -64.6 -38.21 90.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 101' ' ' ILE . 2.2 t -54.63 -55.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 -24.52 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -50.42 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.72 HG21 HD23 ' A' ' 21' ' ' LEU . 98.2 t -74.0 -43.07 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -68.02 -13.28 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.92 -26.37 8.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.35 -61.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.61 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.7 m95 -54.51 -22.66 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.07 -51.19 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.6 m -51.0 -21.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -123.31 76.05 52.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.3 mp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 117.58 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.462 HG21 ' HA ' ' A' ' 11' ' ' SER . 2.2 mt -108.76 116.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -133.19 163.84 28.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -169.42 32.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -139.48 136.73 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 139.91 139.82 3.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -38.41 112.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.471 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.56 -25.85 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 4' ' ' ILE . 28.2 t -67.92 -55.58 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -27.04 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 1.9 tp -67.78 -34.36 76.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.08 -44.41 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.67 -28.38 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 1.2 m-20 -60.86 -50.14 74.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.41 46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.77 -58.76 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -53.91 -28.84 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -40.69 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 100' ' ' VAL . 2.2 mt -80.49 -36.73 32.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.68 -21.01 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.7 mt-10 -74.88 -47.7 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 104' ' ' ILE . 41.1 pt -77.75 -26.7 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -67.63 -47.82 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 ttmt -64.96 -45.76 84.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -60.4 -43.36 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.72 ' OE1' HD12 ' A' ' 107' ' ' LEU . 1.2 tt0 -45.94 -55.32 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 30' ' ' GLY . 15.4 tt -147.61 -52.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 133.92 -41.91 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.71 104.71 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 HG22 ' A' ' 25' ' ' VAL . 12.5 p -171.02 162.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' N ' HG22 ' A' ' 32' ' ' VAL . 2.1 m80 -152.86 135.05 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -106.26 133.98 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.46 ' CA ' HD21 ' A' ' 5' ' ' LEU . 1.4 m-80 -99.9 107.31 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -100.81 129.36 51.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.858 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.2 mp -107.45 112.0 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD22 ' HA3' ' A' ' 10' ' ' GLY . 7.9 mt -78.95 119.73 22.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.9 m -151.14 136.25 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -74.19 -165.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HA ' HG22 ' A' ' 44' ' ' ILE . 18.6 tt0 -73.46 -41.57 63.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -30.21 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.34 -40.11 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.1 tt -77.16 -34.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -50.12 -46.89 54.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' GLN . 4.5 mt-10 -78.52 -48.75 14.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.48 -34.13 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.636 ' ND2' HD11 ' A' ' 61' ' ' LEU . 8.4 t-20 -66.07 -51.5 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.84 -24.65 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.2 mt-30 -57.19 -22.48 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.34 -51.21 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.34 -24.37 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.94 -2.29 75.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -106.05 145.06 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 1.3 t0 -102.83 94.26 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -175.43 137.11 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.63 28.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -144.4 13.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.5 t0 81.74 -50.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 76' ' ' VAL . 12.3 p -155.69 130.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.636 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -95.78 132.5 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -114.58 150.91 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -86.91 137.9 33.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD23 ' A' ' 107' ' ' LEU . 1.8 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 8.7 p90 32.77 37.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -100.93 -161.65 27.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 3.3 mt-10 -125.6 132.35 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -126.44 143.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.858 ' CD1' HD13 ' A' ' 37' ' ' ILE . 29.8 m-85 -103.49 139.86 38.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.099 HG11 HG21 ' A' ' 99' ' ' VAL . 14.9 t -130.88 146.88 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 80' ' ' ILE . 28.8 p -136.97 102.96 9.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.352 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.0 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -59.22 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.596 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.5 mp -68.12 -41.07 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 95' ' ' GLU . 60.2 t -52.68 -44.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER -56.06 -52.73 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -36.72 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.53 -34.78 67.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.31 -28.17 47.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtt180 -68.77 -36.25 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.95 -19.09 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.48 8.06 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 52.55 20.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 1.024 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 41.2 t30 -80.61 138.7 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.901 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.57 104.63 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.581 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -60.11 -57.43 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.901 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -53.61 -43.43 68.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HG2' HG13 ' A' ' 81' ' ' VAL . 1.2 tt0 -72.51 -22.47 61.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.045 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -74.64 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.846 HD13 ' CG1' ' A' ' 133' ' ' VAL . 1.3 pp -58.4 -28.62 65.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -55.83 -37.09 68.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.099 HG21 HG11 ' A' ' 76' ' ' VAL . 5.6 m -75.04 -26.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 21' ' ' LEU . 42.0 t -68.4 -57.41 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 130' ' ' VAL . 12.3 pt -62.05 -16.34 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 3.8 t60 -51.17 -39.6 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.37 -52.7 4.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.464 HD13 HG13 ' A' ' 24' ' ' ILE . 97.3 mt -57.49 -55.21 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -51.75 -43.12 62.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.78 -61.22 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.846 HD23 HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -62.14 -22.64 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -60.29 -26.39 66.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.503 0.192 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.62 -56.21 24.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.582 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 12.1 mttp -61.48 -31.74 71.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.86 -33.48 66.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -73.73 -28.11 61.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -58.93 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 29.0 m-85 -68.33 -41.97 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.912 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.76 -42.37 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.95 -35.4 80.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -47.38 47.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.846 ' CG1' HD13 ' A' ' 97' ' ' LEU . 71.6 t -71.27 -55.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 12.3 t90 -63.14 -14.86 53.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.5 -29.97 25.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -87.57 -55.9 3.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 15.9 m0 -59.49 -20.13 53.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -53.24 -28.54 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.4 m -78.51 -12.2 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASN . . . . . 0.439 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -136.41 63.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -75.0 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.72 119.27 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -111.13 105.81 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -120.31 163.93 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.8 -152.65 22.55 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -157.5 146.76 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.09 136.14 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.8 106.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.6 -26.96 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -55.71 -54.41 44.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -42.99 81.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.72 -29.49 39.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.27 -49.62 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.48 -20.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.8 -50.81 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -111.87 41.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -40.38 41.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.93 -22.5 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -35.19 80.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.869 ' O ' HG22 ' A' ' 25' ' ' VAL . 3.0 mt -79.57 -27.59 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mt-10 -60.27 -18.87 52.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.67 -55.28 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 21' ' ' LEU . 17.2 pt -51.42 -50.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 m -56.79 -37.7 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -62.76 -49.99 72.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -53.01 -44.25 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' OE2' HG22 ' A' ' 29' ' ' ILE . 1.2 tm-20 -68.31 -61.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.595 HG22 ' OE2' ' A' ' 28' ' ' GLU . 12.5 tt -151.27 -53.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 106.09 -20.66 35.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.74 76.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 107' ' ' LEU . 1.8 p -137.83 173.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.492 ' H ' HG22 ' A' ' 32' ' ' VAL . 29.1 m-70 -153.57 107.46 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.547 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -110.84 105.5 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.857 ' HB3' HD21 ' A' ' 5' ' ' LEU . 4.0 m-20 -91.53 116.76 29.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.42 135.46 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.5 mp -112.71 107.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLU . 11.6 mt -80.25 120.4 24.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' HB ' ' A' ' 44' ' ' ILE . 19.9 m -143.85 139.86 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.697 ' O ' HG22 ' A' ' 44' ' ' ILE . 91.4 p -72.76 -167.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 44' ' ' ILE . 60.4 tt0 -74.78 -41.25 60.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.497 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.39 -28.97 61.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -80.55 -39.53 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt -72.13 -48.3 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 7.8 pttp -48.05 -48.06 33.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.55 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 2.4 mt-10 -73.92 -50.2 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -48.84 -43.17 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.3 t-20 -51.92 -39.66 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -82.45 -24.83 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.82 -22.07 61.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -129.03 -52.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 5.5 tpt180 -70.81 -25.61 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.07 -7.36 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -95.71 140.51 30.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -99.11 95.55 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -173.95 122.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.56 18.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 t -162.54 171.65 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.46 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.813 HG23 HG22 ' A' ' 76' ' ' VAL . 3.1 p -132.56 139.93 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD13 HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -100.72 130.64 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -105.59 135.82 46.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -78.47 133.62 63.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.6 p90 -156.56 38.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.12 -137.38 9.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 6.9 pt-20 -131.17 114.18 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.3 pp -103.12 152.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.702 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.6 m-85 -112.4 135.37 53.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.858 HG11 HG21 ' A' ' 99' ' ' VAL . 55.0 t -127.31 154.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 80' ' ' ILE . 9.0 t -142.04 98.56 6.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -57.71 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.942 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -69.46 -41.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 89.9 t -52.8 -51.23 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 13.3 tt0 -62.76 -42.02 99.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.53 -49.23 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 80' ' ' ILE . 8.0 m120 -68.89 -28.47 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -76.97 -27.97 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.8 mtp180 -63.06 -52.0 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.04 -36.79 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ASN . 9.6 t80 -91.74 12.28 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 32.3 t30 38.57 36.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 6.0 t-20 -80.38 156.1 26.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.6 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 25.6 m -74.71 97.38 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -52.53 -28.24 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -72.35 -57.22 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB2' ' CE3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -58.32 -38.96 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -58.12 -52.09 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.91 -27.91 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 102' ' ' HIS . 11.8 mt-10 -66.48 -55.44 15.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.858 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 m -58.6 -26.84 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 96' ' ' LEU . 14.1 t -64.83 -57.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.864 ' CD1' HG23 ' A' ' 130' ' ' VAL . 42.2 pt -77.81 -15.81 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' GLU . 24.7 t-80 -51.08 -28.62 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.24 -51.93 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 25' ' ' VAL . 49.2 mt -67.23 -54.4 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.734 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -48.23 -27.18 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 19.4 t-160 -69.19 -51.42 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.614 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 32' ' ' VAL . 2.6 pp -82.57 3.95 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -74.84 -26.66 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.3 -62.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.0 tt0 -77.28 -39.08 49.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -25.57 64.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -57.03 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.5 m-85 -73.01 -40.22 65.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -56.14 -42.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -40.66 71.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.534 HG12 HD22 ' A' ' 17' ' ' LEU . 57.1 t -78.72 -39.2 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.2 t90 -76.62 -13.53 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.2 -30.42 24.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.52 -57.92 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.56 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.2 m95 -56.02 -20.64 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.61 -35.42 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.0 m -59.3 -15.14 14.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.41 84.43 18.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -75.03 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 33.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 110.62 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mt -104.19 107.14 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -128.49 164.78 22.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 -42.99 3.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 60.37 145.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.53 163.44 11.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' PRO . 1.5 tttt -40.11 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 138.32 -26.97 2.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 38' ' ' LEU . 6.4 p -56.66 -49.77 74.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -30.2 65.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.017 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.61 -29.43 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.68 -50.88 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.05 -21.45 3.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.05 -45.72 55.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -113.12 36.45 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.83 -58.7 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 7.1 mt-10 -53.08 -40.66 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -54.92 -37.53 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 14' ' ' LEU . 7.1 mt -80.45 -30.42 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 25' ' ' VAL . 16.8 mt-10 -65.88 -20.16 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.88 -52.35 10.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.009 HD12 HG21 ' A' ' 104' ' ' ILE . 16.5 pt -61.89 -41.37 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.1 -36.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -68.94 -53.03 23.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -55.74 -52.71 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -51.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG23 ' H ' ' A' ' 31' ' ' ASP . 12.5 tt -144.56 -53.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LYS . . . 153.03 -29.94 0.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 29' ' ' ILE . 10.2 t70 -168.39 130.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -137.45 -176.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.64 ' N ' HG13 ' A' ' 32' ' ' VAL . 25.8 m-70 -135.54 113.84 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.78 115.44 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 73' ' ' GLU . 12.1 m-20 -93.52 96.17 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.46 127.32 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.949 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.5 mp -109.42 107.52 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 11' ' ' SER . 13.7 mt -89.18 112.98 24.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 44' ' ' ILE . 30.3 m -136.95 141.98 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 22.6 p -68.35 -166.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.637 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.2 tt0 -74.04 -52.84 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.04 -27.05 67.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -73.78 -43.73 58.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.795 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.2 tt -76.67 -34.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.01 -44.99 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.8 -30.41 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.74 -56.31 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 12.7 pt20 -68.64 -23.52 64.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.98 -22.42 49.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HE2' HD11 ' A' ' 47' ' ' LEU . 36.8 m-85 -129.85 -54.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.61 -24.23 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 80.88 -11.94 38.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 52' ' ' ARG . 7.8 mp0 -87.09 145.17 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.33 95.14 6.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -173.87 128.86 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.1 15.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.597 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.3 t -155.19 176.2 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -70.69 -54.93 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.0 p -151.76 135.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.54 140.14 30.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 t -126.1 151.11 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -82.34 142.98 47.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.1 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.72 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 49.11 16.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.862 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -90.1 -139.39 7.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.826 ' HB2' HD11 ' A' ' 37' ' ' ILE . 5.2 pt-20 -129.72 133.35 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 0.812 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.38 131.68 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CD1' HD13 ' A' ' 37' ' ' ILE . 10.3 m-85 -95.54 121.67 37.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.723 HG22 ' HB ' ' A' ' 99' ' ' VAL . 72.9 t -105.86 152.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' A' ' 80' ' ' ILE . 22.4 t -142.47 97.71 6.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.488 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.04 2.78 6.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -79.97 -55.44 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.677 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.8 mp -76.06 -26.47 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 77' ' ' CYS . 68.2 t -71.89 -56.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 11.2 pt-20 -53.36 -45.08 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 4.9 tp10 -59.41 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -79.65 -39.4 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -71.49 -32.21 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 5.0 mtp-105 -77.91 -32.24 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.33 -23.82 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -128.12 -78.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 25.4 t30 165.67 43.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 56.0 t30 -90.48 150.86 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 p -71.36 97.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.5 t80 -46.14 -37.71 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 97' ' ' LEU . 3.1 pt-20 -58.13 -46.12 86.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -65.45 -46.12 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 tm-20 -56.35 -41.45 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.017 HD12 HD21 ' A' ' 13' ' ' LEU . 2.3 tm? -78.24 -29.57 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.715 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.59 -37.5 85.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 16.8 mt-10 -57.97 -58.74 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HB ' HG22 ' A' ' 76' ' ' VAL . 19.0 m -57.38 -24.27 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -74.05 -57.02 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.895 HD11 HG23 ' A' ' 130' ' ' VAL . 46.1 pt -70.87 -16.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.5 t-160 -52.02 -34.28 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.484 ' O ' HD12 ' A' ' 107' ' ' LEU . . . -80.65 -33.69 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.009 HG21 HD12 ' A' ' 24' ' ' ILE . 33.5 mt -80.4 -56.35 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 106' ' ' HIS . 1.6 pp -48.82 -50.81 32.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.896 ' N ' HD12 ' A' ' 105' ' ' LEU . 23.5 t-160 -59.51 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 32' ' ' VAL . 2.4 mt -85.47 -25.04 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -59.62 -20.37 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.537 0.208 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.42 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -52.89 -39.74 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' A' ' 105' ' ' LEU . 6.8 tt0 -66.34 -37.78 86.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -72.79 -17.87 61.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -55.96 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.629 ' CD1' HG21 ' A' ' 24' ' ' ILE . 23.1 m-85 -72.67 -35.91 67.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -55.53 -51.27 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.0 mm-40 -69.34 -36.43 76.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -52.18 55.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.715 HG12 HD21 ' A' ' 97' ' ' LEU . 72.0 t -69.26 -34.76 64.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 11.2 t90 -78.86 -13.71 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.68 -30.34 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -51.96 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.637 ' CD1' HD23 ' A' ' 17' ' ' LEU . 3.3 m95 -60.13 -21.17 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 134' ' ' TRP . 3.6 ttp180 -54.86 -38.67 67.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.5 m -63.6 -13.62 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -130.64 70.3 82.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 121.63 26.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mt -109.4 106.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 37' ' ' ILE . 1.1 pt? -125.19 162.0 25.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.22 -166.92 38.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -142.21 140.44 32.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 150.05 132.06 1.97 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -39.02 108.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 161.51 -26.94 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t -56.47 -54.16 49.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -44.8 63.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 ' CH2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -52.04 -28.78 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -77.55 -45.44 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.31 -20.27 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -73.81 -49.29 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.582 HD21 ' CE3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.6 38.15 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.55 -56.57 5.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.2 pt-20 -60.89 -29.76 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -55.11 -42.34 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -77.07 -28.48 54.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.8 mt-10 -67.23 -18.73 65.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.7 mt-10 -76.91 -52.68 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.3 pt -52.71 -44.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -70.23 -48.79 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' VAL . 2.6 tppp? -56.05 -42.0 75.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -66.98 -61.02 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' GLY . 6.6 tp -147.05 -53.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 89.09 48.54 3.79 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.43 57.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 33' ' ' HIS . 10.4 p -123.45 166.15 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 22.8 m80 -140.07 102.25 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.27 115.13 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 5' ' ' LEU . 3.0 m120 -95.07 124.19 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.913 ' C ' HD13 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -102.17 138.03 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -110.82 107.91 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 23.1 mt -81.09 109.23 15.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 44' ' ' ILE . 31.8 m -142.01 141.15 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 0.5 OUTLIER -83.51 -169.59 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 80' ' ' ILE . 32.0 tt0 -67.55 -47.52 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.88 -29.16 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -36.38 54.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 39' ' ' VAL . 7.7 tt -80.7 -29.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -44.55 61.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.77 -49.86 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 75' ' ' TYR . 1.9 tm? -45.59 -36.75 4.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -70.19 -43.9 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 17.8 mt-30 -70.66 -24.02 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.73 -23.03 49.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -130.29 -53.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -74.37 -17.62 60.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.75 19.38 9.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 15.2 mt-30 -114.29 144.84 42.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.44 94.27 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -175.62 128.39 0.38 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.09 32.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -142.86 12.43 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.6 m-20 73.34 -54.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 99' ' ' VAL . 14.1 p -143.13 128.06 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -95.84 140.5 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 m -115.35 146.1 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.48 138.24 41.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.64 HG13 ' H ' ' A' ' 71' ' ' TYR . 2.6 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.64 ' H ' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 40.51 34.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -114.79 -152.38 10.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.879 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.9 pt-20 -123.62 124.13 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 20.4 tt -107.18 125.25 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 37' ' ' ILE . 29.2 m-85 -84.7 131.14 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 99' ' ' VAL . 2.1 t -121.69 154.55 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.796 ' O ' HG23 ' A' ' 81' ' ' VAL . 44.8 t -149.98 105.65 3.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 108.297 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB3' HD13 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.05 -2.16 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -68.52 -40.05 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 77' ' ' CYS . 63.8 t -52.86 -49.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.05 -46.27 81.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -60.08 -39.47 86.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -41.55 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.36 -27.12 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -70.35 -53.21 17.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 1.8 pt-20 -72.72 -28.77 62.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -101.96 9.75 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 31.3 t30 39.86 30.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.775 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 2.6 t-20 -85.71 165.94 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -94.6 97.28 10.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.459 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -49.31 -38.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.665 ' CB ' ' CE2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.44 -50.86 70.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.6 ' HG3' ' CE3' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -70.64 -47.17 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 99' ' ' VAL . 2.1 tt0 -53.0 -22.52 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.086 ' O ' HG22 ' A' ' 99' ' ' VAL . 2.8 tp -86.09 -58.56 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.1 pp -56.48 -26.6 54.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -68.51 -33.88 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.086 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -66.49 -24.03 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.813 HG11 HD13 ' A' ' 21' ' ' LEU . 34.5 t -73.92 -57.51 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.625 ' CD1' HG23 ' A' ' 130' ' ' VAL . 19.6 pt -58.74 -16.83 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -51.73 -43.88 63.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.25 -50.85 5.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.629 HG23 HG12 ' A' ' 25' ' ' VAL . 86.1 mt -55.57 -53.86 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -55.25 -35.72 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.359 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -51.46 -38.01 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.558 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -26.13 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.94 -18.2 31.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.481 0.181 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.13 -36.73 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -52.56 -42.05 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 17.0 tt0 -54.48 -44.2 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -68.57 -20.92 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 125' ' ' LYS . 4.8 tttp -57.17 -58.96 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 7.4 m-85 -73.24 -34.75 66.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.625 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -59.64 -38.59 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.68 -46.68 86.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -51.73 53.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.919 ' CG1' HD13 ' A' ' 97' ' ' LEU . 52.4 t -62.02 -37.64 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 8.3 t90 -75.38 -12.77 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.53 -37.68 41.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 5.8 tt0 -87.56 -58.14 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.996 ' CH2' HD21 ' A' ' 13' ' ' LEU . 1.9 t90 -53.92 -21.2 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.033 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.568 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.92 -29.76 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.405 ' C ' ' HD3' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -64.31 -9.54 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -128.46 69.77 79.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 177.8 8.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' PRO . 14.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 22' ' ' GLU . 4.0 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 133.78 51.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.785 HD11 HG12 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -111.19 162.49 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.94 -150.32 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.47 148.77 12.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.85 147.2 4.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.67 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 160.57 -34.61 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 90.7 p -55.51 -52.82 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -43.45 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -50.7 -35.63 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.22 -52.82 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 18' ' ' LYS . 13.7 mt-10 -51.84 -20.44 2.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -74.55 -49.04 23.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.87 39.08 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -70.86 -52.49 19.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.83 -25.31 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.676 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -64.61 -40.66 95.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 mt -79.59 -28.02 41.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 4.9 mt-10 -63.33 -17.11 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.37 -54.43 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.7 pt -51.79 -47.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 m -62.79 -33.33 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.11 -49.96 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -36.94 85.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' HD12 ' A' ' 107' ' ' LEU . 33.6 tp10 -67.31 -61.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.9 tt -148.9 -60.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 141.16 -86.91 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -80.71 97.8 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 HG11 ' A' ' 25' ' ' VAL . 31.4 m -108.92 -169.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -150.52 98.78 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.58 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 34' ' ' VAL . 1.9 t -117.61 104.15 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.736 ' OD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-80 -93.96 107.92 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.1 t -98.03 138.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.867 HD13 ' CD1' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -114.17 110.43 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 9.5 mt -89.19 119.87 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.6 m -145.65 139.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 44' ' ' ILE . 1.4 m -72.4 -167.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 31.1 tt0 -73.45 -49.09 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.6 -41.44 31.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.794 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.3 tt -74.6 -33.35 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -43.69 43.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.32 -48.74 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.2 tm? -46.28 -28.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.458 ' ND2' HD11 ' A' ' 61' ' ' LEU . 6.5 t-20 -74.73 -52.86 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 44.8 mt-30 -60.63 -24.68 65.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -52.77 -33.03 46.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -127.5 -49.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -71.19 -17.97 62.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.06 17.25 9.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 9.9 mt-30 -114.89 142.68 46.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.17 94.16 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 130.09 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.49 35.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.456 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -143.27 10.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER 77.66 -51.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.6 p -145.05 123.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.91 123.11 39.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -128.53 121.44 28.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -97.99 158.95 31.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.543 1.812 . . . . 0.0 110.94 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 70' ' ' VAL . 2.9 m-85 46.53 46.82 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 73' ' ' GLU . . . -117.31 -133.8 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 3.2 mt-10 -140.59 160.42 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 37' ' ' ILE . 12.4 tt -147.27 123.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.867 ' CD1' HD13 ' A' ' 37' ' ' ILE . 64.4 m-85 -83.68 129.74 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' CG2' ' A' ' 99' ' ' VAL . 2.7 t -123.31 151.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' SG ' HD12 ' A' ' 80' ' ' ILE . 44.2 t -142.6 100.3 5.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 1.43 7.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -60.5 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.464 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.1 mp -70.56 -43.77 77.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.3 t -52.67 -42.24 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.05 -52.3 63.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.42 -33.64 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.98 -37.29 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -67.15 -36.61 82.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.38 -20.88 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -112.27 13.02 20.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 40.1 30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' PHE . 43.1 t30 -76.43 171.68 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.552 HG21 ' CH2' ' A' ' 134' ' ' TRP . 1.2 p -86.76 98.31 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 t80 -48.55 -30.83 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -76.55 -38.11 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.61 -51.69 47.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 mm-40 -54.02 -42.94 69.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.918 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.07 -30.35 63.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' HIS . 64.0 mt-10 -58.41 -56.19 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 76' ' ' VAL . 34.9 m -59.22 -23.05 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -75.99 -57.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.851 ' CD1' HG23 ' A' ' 130' ' ' VAL . 47.3 pt -68.68 -18.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -55.86 -43.51 77.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.75 93.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.536 HD13 HG13 ' A' ' 25' ' ' VAL . 54.6 mt -69.39 -41.52 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -49.53 -39.58 34.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -54.17 -65.84 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.659 ' N ' HG11 ' A' ' 70' ' ' VAL . 4.5 pp -62.46 -29.22 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -58.18 -18.18 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 127' ' ' LYS . 18.2 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.47 0.176 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.13 -58.54 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -61.0 -25.46 66.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' HG3' HD11 ' A' ' 101' ' ' ILE . 13.1 tt0 -79.29 -32.49 43.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -78.56 -17.24 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 105' ' ' LEU . 6.0 m-85 -66.98 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -57.34 -53.66 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.4 mm-40 -64.09 -33.29 75.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -51.12 29.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.723 HG21 HD23 ' A' ' 21' ' ' LEU . 97.9 t -71.54 -33.4 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.2 t90 -77.82 -13.9 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.92 -24.64 8.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -87.09 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.529 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 6.1 m95 -55.86 -22.86 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -46.89 -42.33 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.3 m -51.92 -20.73 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -115.85 90.74 28.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -74.98 -161.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 141' ' ' PRO . 2.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.87 112.89 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.63 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.506 HD21 ' CB ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -119.26 165.23 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -166.24 30.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.44 137.97 22.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.35 145.71 4.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -39.0 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.63 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.02 -31.73 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -55.76 -53.53 55.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.48 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.951 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -48.7 -34.22 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -76.06 -48.22 21.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.02 -20.44 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -74.06 -51.41 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HG12 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -112.93 38.5 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.73 -59.31 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.68 -40.49 88.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.72 -30.05 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 133' ' ' VAL . 22.0 mt -81.62 -42.65 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 41.2 mt-10 -53.23 -20.71 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.1 mt-10 -68.37 -52.35 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CD1' HG21 ' A' ' 104' ' ' ILE . 16.0 pt -62.43 -39.42 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.714 HG23 HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.5 -45.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 10.4 tttm -67.96 -36.89 80.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.3 tttt -59.25 -52.55 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' HG2' ' CA ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -74.44 -55.96 5.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -173.92 104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -65.62 -160.04 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLY . 7.4 t70 39.14 63.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.684 ' HB ' HD13 ' A' ' 107' ' ' LEU . 12.0 m -106.92 -164.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -151.34 99.43 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.609 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 107' ' ' LEU . 3.4 t -125.03 103.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' CB ' HD21 ' A' ' 5' ' ' LEU . 2.6 m120 -96.3 104.03 15.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 74' ' ' ILE . 2.2 t -96.72 127.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.03 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.1 mp -108.73 110.4 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.3 mt -84.71 110.97 19.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.756 ' CG2' HD12 ' A' ' 44' ' ' ILE . 31.4 m -134.94 136.25 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.828 ' HB3' HD13 ' A' ' 79' ' ' LEU . 5.0 m -68.39 -164.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.1 tt0 -72.17 -50.61 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -39.83 81.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.51 -42.28 96.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.756 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.8 tt -76.44 -32.66 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -45.2 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 2.6 mt-10 -79.34 -48.53 13.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.2 tm? -45.33 -44.46 11.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ARG . 4.8 t-20 -59.87 -38.77 83.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mt-30 -77.96 -22.66 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.08 -28.0 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -128.02 -55.95 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 mpt_? -69.75 -13.59 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.64 28.23 37.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 12.0 pt20 -123.43 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.45 95.62 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.48 138.65 0.56 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.26 29.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.73 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.9 t -156.6 174.03 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -67.85 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.641 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.1 p -150.58 134.67 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.45 132.62 40.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 t -124.34 149.65 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 2.6 m-85 -80.94 142.44 52.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.778 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.665 ' H ' HG13 ' A' ' 70' ' ' VAL . 69.1 t80 46.83 23.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.778 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.02 -145.61 7.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.84 ' HB2' HD11 ' A' ' 37' ' ' ILE . 13.1 pt-20 -127.4 152.69 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 36' ' ' VAL . 1.9 pp -139.86 133.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 1.03 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.5 m-85 -97.47 124.72 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.641 HG22 ' CG2' ' A' ' 60' ' ' VAL . 2.5 t -117.47 149.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.668 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.2 p -137.52 101.88 8.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.828 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -71.47 -52.09 20.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.9 mp -75.26 -40.47 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 77' ' ' CYS . 99.0 t -52.62 -54.22 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -52.77 -48.38 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.1 -40.72 77.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 15.7 m120 -68.22 -34.76 76.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.53 -27.49 45.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.2 mtp180 -70.35 -30.06 66.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.8 pt-20 -80.8 -25.71 37.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -118.45 18.46 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 85' ' ' ALA . 25.8 t30 40.91 28.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.596 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 39.5 t30 -73.88 154.53 39.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.561 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -69.87 96.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 96' ' ' LEU . 2.3 t80 -45.06 -48.21 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -56.55 -48.72 76.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 2.1 ttpp -56.16 -53.16 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.9 -28.12 21.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.1 tt -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 93' ' ' GLU . 3.3 mp -48.71 -29.06 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.5 mt-10 -68.59 -55.49 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 96' ' ' LEU . 5.8 m -59.36 -23.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.567 HG23 HD23 ' A' ' 96' ' ' LEU . 77.9 t -77.92 -57.74 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 130' ' ' VAL . 3.2 pt -67.61 -16.75 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -52.77 -47.19 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.7 85.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 25' ' ' VAL . 60.0 mt -65.26 -48.53 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -51.39 -52.97 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -49.85 -34.77 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.632 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD13 ' HB ' ' A' ' 32' ' ' VAL . 2.5 mt -85.9 -24.66 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -72.19 -30.05 64.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.506 0.193 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -65.25 -36.24 83.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -34.68 78.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.83 -30.73 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -78.51 -17.5 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -52.38 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.623 ' HB2' HD12 ' A' ' 101' ' ' ILE . 28.4 m-85 -71.64 -30.11 65.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -62.6 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.54 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.8 mt-10 -59.6 -46.01 90.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.63 -58.46 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 21' ' ' LEU . 75.2 t -65.98 -36.96 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.9 t90 -65.28 -13.14 57.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 107.985 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.64 -29.81 12.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.5 -58.71 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.67 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 8.0 m95 -54.64 -21.56 10.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 2.0 mmm180 -60.54 -17.41 45.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.3 m -79.53 -10.69 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 5.0 p-10 -146.52 63.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -74.99 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.2 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.84 133.21 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.57 142.56 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.635 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -148.8 162.74 39.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.18 -166.82 46.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.3 mt-10 -134.01 143.52 48.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.03 129.51 1.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -39.81 105.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.814 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 164.69 -33.36 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -52.4 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -66.56 -38.42 87.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -54.3 -36.99 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.75 -49.68 50.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.37 -27.73 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 12' ' ' LYS . 11.2 m-20 -65.82 -44.49 85.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.715 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -114.63 38.43 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HG2' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -68.41 -58.04 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -30.01 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.97 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.2 mt -79.94 -32.71 40.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 5.3 mt-10 -60.43 -16.91 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.6 mt-10 -79.24 -54.15 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.3 pt -51.84 -51.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.5 -52.24 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -66.23 -25.22 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.57 -66.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -87.89 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.5 OUTLIER 179.64 121.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 1.035 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -102.51 -98.85 2.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 27.8 t70 40.78 40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 30' ' ' GLY . 33.0 m -125.32 -170.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -152.18 106.64 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.34 108.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' HB3' HD21 ' A' ' 5' ' ' LEU . 27.1 m-20 -91.37 116.52 28.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.2 t -101.91 128.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.4 mp -108.74 115.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 7' ' ' GLU . 8.6 mt -87.81 114.76 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 44' ' ' ILE . 32.9 m -136.91 137.59 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.526 ' HB2' HD13 ' A' ' 79' ' ' LEU . 52.6 p -78.69 -165.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -70.36 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -36.46 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.579 ' HB ' HG23 ' A' ' 39' ' ' VAL . 13.9 tt -81.75 -31.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -50.4 -47.73 56.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.81 -49.73 12.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.4 -26.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 7.3 t-20 -65.66 -54.62 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.29 -25.76 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -49.2 -27.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 6.7 m-85 -129.03 -45.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -71.46 -23.43 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.44 8.26 62.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 9.7 pt20 -114.36 143.14 45.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.729 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.17 97.83 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -173.68 119.49 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.35 22.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.654 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.7 t -156.81 173.49 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' OG1' ' A' ' 58' ' ' THR . 4.8 m-20 -66.81 -65.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 76' ' ' VAL . 4.3 p -134.87 135.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.41 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.3 127.29 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 t -95.42 137.81 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 5.5 t80 -77.84 148.12 75.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -173.87 33.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.56 -137.54 9.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.942 ' HB2' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -136.27 114.37 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.802 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.823 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.4 tt -97.76 140.93 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.5 m-85 -103.83 133.83 48.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 99' ' ' VAL . 59.1 t -131.17 151.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.533 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.7 t -135.99 104.36 9.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.91 -52.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 58' ' ' THR . 2.8 mt -74.82 -43.54 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.3 t -52.6 -50.66 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.4 -51.95 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.22 -29.99 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.35 -48.67 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.632 ' HB2' ' OE1' ' A' ' 95' ' ' GLU . . . -63.51 -27.85 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -67.53 -38.79 84.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -80.94 -25.33 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -107.97 13.99 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 41.0 t30 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.526 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 45.8 t30 -80.96 157.8 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.819 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.6 OUTLIER -71.95 98.44 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.1 t80 -47.48 -44.27 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.4 pm0 -62.4 -38.65 90.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -66.08 -47.68 73.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.632 ' OE1' ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt0 -57.12 -43.03 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.53 -31.04 63.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -62.43 -31.03 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 44.9 mt-10 -61.54 -56.7 17.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.868 HG21 HG11 ' A' ' 76' ' ' VAL . 4.2 m -61.88 -23.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.583 HG12 HD21 ' A' ' 21' ' ' LEU . 2.9 t -69.75 -57.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.781 ' CD1' HG23 ' A' ' 130' ' ' VAL . 36.9 pt -76.27 -16.37 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.727 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.3 t-80 -50.46 -28.05 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.35 6.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.545 ' CD1' HD11 ' A' ' 24' ' ' ILE . 76.5 mt -69.47 -44.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -48.93 -44.25 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.535 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.0 m-70 -53.78 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.855 ' HG ' HG11 ' A' ' 32' ' ' VAL . 1.9 tm? -55.54 -31.02 61.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -62.34 -30.25 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.534 0.207 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.05 -57.76 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -41.66 71.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HG3' HD11 ' A' ' 101' ' ' ILE . 16.3 tt0 -67.62 -37.52 82.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -69.19 -25.12 64.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.566 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.9 m-85 -73.39 -38.12 65.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -61.92 -42.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.89 -37.48 86.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -45.81 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 97' ' ' LEU . 94.3 t -72.39 -40.56 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 91' ' ' THR . 9.8 t90 -73.78 -13.65 60.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.01 -29.54 20.76 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.75 -59.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.715 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.9 m95 -54.67 -22.5 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 134' ' ' TRP . 8.2 mmm-85 -52.07 -34.81 45.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.4 m -69.9 -14.53 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.97 69.18 64.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -74.98 -87.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.617 HG21 ' HZ1' ' A' ' 18' ' ' LYS . 4.7 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.7 mtt-85 -96.69 114.62 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 mt -102.03 106.28 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -126.76 166.47 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.82 -170.05 33.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.46 132.68 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.14 141.79 3.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -38.96 115.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.73 -37.57 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 42.0 t -57.9 -54.11 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -72.23 -43.2 64.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 5.6 tp -50.17 -32.41 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.859 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -75.86 -45.21 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.61 -20.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -72.89 -48.83 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -126.79 47.13 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.859 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -75.22 -58.13 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -49.92 -27.66 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -43.59 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.89 HD13 HG11 ' A' ' 100' ' ' VAL . 1.2 mt -79.46 -28.74 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 36.4 mt-10 -63.8 -17.85 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.9 mt-10 -79.82 -53.61 6.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.0 pt -50.96 -49.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.14 -52.43 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -53.21 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -41.24 -61.61 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 30' ' ' GLY . 16.2 tt -151.69 -58.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 104.12 161.98 24.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 62.69 82.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -128.15 -178.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' HG13 ' A' ' 32' ' ' VAL . 27.6 m80 -146.09 99.38 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 34' ' ' VAL . 1.4 t -126.0 110.47 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.748 ' HB3' HD21 ' A' ' 5' ' ' LEU . 12.4 m-20 -99.08 116.96 32.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.2 126.65 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.797 HG21 ' CE2' ' A' ' 75' ' ' TYR . 5.3 mp -105.33 109.25 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 6.1 mt -77.47 123.75 26.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.5 m -146.96 142.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB2' HD13 ' A' ' 79' ' ' LEU . 70.6 p -76.12 -165.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.717 ' HA ' HD11 ' A' ' 80' ' ' ILE . 30.6 tt0 -73.72 -49.26 26.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 -28.2 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.42 -34.07 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -85.55 -25.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -46.63 78.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.84 -48.54 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -45.92 -30.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.5 t-20 -62.11 -54.4 41.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 6.7 pt20 -72.81 -29.17 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -45.43 -29.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -129.77 -45.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 4.9 tpt180 -70.23 -22.6 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 72.2 3.48 57.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -107.24 136.88 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.11 95.69 9.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.05 130.7 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 4.7 t -164.8 178.42 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' OG1' ' A' ' 58' ' ' THR . 5.7 m-20 -71.86 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 76' ' ' VAL . 4.5 p -135.01 136.69 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -96.47 131.08 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -122.16 143.33 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 73' ' ' GLU . 2.3 m-85 -79.37 168.58 25.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 71' ' ' TYR . 1.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 87.9 t80 36.06 39.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.5 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -136.03 -150.2 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -127.17 147.17 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.0 pt -138.46 151.67 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CE2' HG21 ' A' ' 37' ' ' ILE . 10.8 m-85 -110.52 131.86 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 99' ' ' VAL . 46.0 t -125.2 152.55 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.774 ' SG ' HD12 ' A' ' 80' ' ' ILE . 39.8 t -142.12 103.65 5.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 -0.19 9.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.82 -55.3 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.5 mp -72.04 -39.13 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 73.3 t -56.27 -45.85 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.58 -50.15 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -39.17 92.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 1.1 m-80 -66.72 -31.19 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.54 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -66.79 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.1 pt-20 -84.91 -17.89 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.0 9.67 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 48.98 23.44 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.441 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 8.0 t-20 -78.32 157.16 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.3 p -82.21 97.55 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -43.91 -32.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . 8.8 pt-20 -63.46 -52.89 59.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.92 -31.33 72.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.02 -23.31 58.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -77.18 -58.76 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.801 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -56.96 -26.07 59.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -58.4 -47.05 85.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.07 HG21 HG11 ' A' ' 76' ' ' VAL . 4.5 m -64.72 -24.9 36.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.89 HG11 HD13 ' A' ' 21' ' ' LEU . 25.2 t -71.91 -55.06 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.959 HD11 HG23 ' A' ' 130' ' ' VAL . 5.9 pt -65.68 -17.19 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' HD23 ' A' ' 105' ' ' LEU . 2.6 t-80 -51.93 -40.13 60.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -47.81 7.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.486 HD13 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -60.85 -54.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -51.58 -39.81 58.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.415 ' ND1' HG23 ' A' ' 70' ' ' VAL . 7.6 t-160 -50.96 -61.38 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.61 -16.7 63.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -68.91 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.413 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 6.4 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.2 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.4 -61.1 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -54.97 -35.5 64.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.07 -37.96 84.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -17.34 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -57.11 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 7.0 m-85 -73.25 -37.79 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.959 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.98 -46.16 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -37.05 86.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.67 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.801 ' CG1' HD13 ' A' ' 97' ' ' LEU . 55.1 t -74.25 -54.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 10.9 t90 -59.68 -17.32 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.29 -22.71 15.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.49 -54.89 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.757 ' CD2' HD21 ' A' ' 17' ' ' LEU . 17.7 m0 -69.56 -20.65 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' TRP . 7.3 ttt180 -52.68 -31.04 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -11.11 38.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -128.2 99.37 24.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.88 15.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.026 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.58 138.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.58 135.33 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.622 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -144.39 163.4 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.35 -161.15 38.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -140.98 144.03 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.37 131.02 2.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.74 111.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 -35.48 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -58.31 -54.3 48.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.006 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -75.32 -42.89 53.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -50.32 -39.67 46.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -65.03 -42.78 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -50.99 -23.84 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.8 -43.91 97.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.722 HD12 ' H ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -121.36 44.52 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -50.52 46.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -23.9 67.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -40.98 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -80.58 -32.66 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.97 -21.55 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.32 -53.19 11.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.9 -42.22 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -59.96 -48.55 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -68.26 -50.42 53.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LYS . 2.9 ttmm -39.75 -60.77 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 107' ' ' LEU . 9.5 tt0 -47.29 -61.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.9 tt -156.7 -47.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 90.89 48.56 3.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -160.22 50.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 25' ' ' VAL . 12.4 m -116.53 -176.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 21.8 m80 -149.91 101.23 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.8 t -110.74 101.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.489 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 1.7 m-80 -103.46 104.04 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 1.2 m -85.46 151.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.3 mp -121.03 114.29 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 11' ' ' SER . 5.5 mt -86.2 120.47 27.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.697 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.4 m -145.32 138.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.3 m -72.16 -165.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 44' ' ' ILE . 30.4 tt0 -71.71 -45.78 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.49 -39.15 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.69 -38.79 92.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.697 ' HB ' HG23 ' A' ' 39' ' ' VAL . 5.5 tt -79.17 -33.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -51.41 -46.72 62.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 3.8 mt-10 -78.51 -49.63 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 tm? -45.6 -30.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -77.38 -51.67 10.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.5 mt-30 -57.14 -25.94 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -48.48 -35.78 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.96 -46.64 1.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -69.81 -22.04 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.6 16.57 11.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 7.5 mt-30 -115.98 141.72 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 4.1 t0 -96.21 94.32 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -175.42 132.76 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.27 33.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -139.5 8.52 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 4.4 m-20 77.84 -52.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 76' ' ' VAL . 3.0 p -144.06 124.83 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.9 132.36 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 135.73 53.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' CE1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -78.88 135.65 59.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.615 HG13 ' H ' ' A' ' 71' ' ' TYR . 3.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CA ' HD21 ' A' ' 107' ' ' LEU . 85.8 t80 35.08 39.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -125.16 -123.95 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.954 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -131.86 159.43 38.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 37' ' ' ILE . 12.2 tt -143.34 130.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 1.01 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.4 m-85 -92.26 135.46 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 60' ' ' VAL . 92.3 t -134.51 158.83 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 53.8 t -146.56 103.8 3.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB3' HD23 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -70.89 -51.19 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.4 -39.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 83.4 t -52.74 -53.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.53 -51.97 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.16 -38.95 68.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.75 -47.44 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.736 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.8 -27.1 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -67.94 -40.33 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 4.4 pt-20 -85.5 -28.82 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -103.16 12.36 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 85' ' ' ALA . 41.0 t30 38.8 30.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.736 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 4.0 t-20 -79.53 155.64 28.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.033 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.1 p -72.9 97.86 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -52.17 -27.36 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mt-10 -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.36 -54.15 50.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.07 -21.36 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.5 tm? -84.28 -59.57 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.859 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -59.24 -27.51 65.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 94' ' ' LYS . 1.1 pp20? -58.44 -29.69 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 96' ' ' LEU . 2.6 m -78.56 -28.46 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 14' ' ' LEU . 41.2 t -67.21 -57.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 130' ' ' VAL . 12.5 pt -61.2 -20.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 1.6 t60 -53.32 -41.64 65.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.17 -51.04 5.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.5 mt -55.6 -54.0 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -50.69 -46.33 58.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 105' ' ' LEU . 7.4 t-160 -57.03 -34.8 68.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD21 ' CA ' ' A' ' 71' ' ' TYR . 3.0 mt -81.41 -19.61 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -56.3 -19.69 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.551 0.215 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -61.2 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.551 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -57.87 -26.91 62.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 10.5 tt0 -70.14 -32.09 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -19.0 57.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -53.04 41.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.551 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 13.2 m-85 -72.64 -32.44 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -63.12 -51.77 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -58.38 -24.76 60.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 2.3 mt-10 -82.93 -47.64 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.859 ' CG1' HD13 ' A' ' 97' ' ' LEU . 24.5 t -68.76 -52.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 1.033 ' CZ2' HG21 ' A' ' 91' ' ' THR . 13.8 t90 -61.93 -15.55 44.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.2 -25.81 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -86.35 -52.6 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.664 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 8.3 m0 -65.96 -19.32 65.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.003 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 134' ' ' TRP . 1.5 ttp180 -47.96 -40.11 21.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.6 m -55.7 -18.12 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -115.92 90.03 26.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.508 ' CB ' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.77 122.69 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.47 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 1.7 mt -109.81 124.46 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -148.97 165.54 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.48 -38.14 3.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.5 mt-10 59.97 148.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 137.76 156.5 7.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 9.6 tttt -38.48 104.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.27 -27.65 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.097 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' HD13 ' A' ' 38' ' ' LEU . 70.4 p -58.49 -54.08 51.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -35.33 80.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.033 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -60.39 -33.45 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -76.32 -51.71 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.02 -20.67 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.78 -49.89 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -112.89 41.71 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' CG ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.96 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -41.64 61.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.72 -33.56 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 100' ' ' VAL . 13.3 mt -80.32 -34.67 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 25' ' ' VAL . 51.5 mt-10 -60.29 -20.14 57.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.08 -52.38 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.47 -42.97 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.715 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.32 -30.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -53.96 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.07 78.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.15 -60.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tt -137.91 -53.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.21 -30.11 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.4 124.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -128.97 178.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.9 m-70 -131.57 103.62 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -121.96 104.5 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.788 ' HB3' HD21 ' A' ' 5' ' ' LEU . 5.2 m-20 -89.91 103.16 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.01 126.87 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.7 mp -106.46 106.74 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 11' ' ' SER . 12.5 mt -87.0 119.69 27.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.923 ' CG2' HD12 ' A' ' 44' ' ' ILE . 32.7 m -146.45 138.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.936 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.1 m -66.63 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 80' ' ' ILE . 27.4 tt0 -69.6 -51.17 37.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -39.95 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 40' ' ' SER . 20.2 mm-40 -59.26 -38.74 80.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.923 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -82.36 -33.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.18 -47.63 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.9 mt-10 -78.47 -45.21 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -43.85 -37.13 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t-20 -64.47 -49.72 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 9.6 tt0 -70.57 -23.71 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' GLU . 52.3 mt-30 -60.59 -21.88 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -129.85 -54.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -70.85 -24.75 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 49' ' ' GLN . . . 82.56 -11.97 49.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -85.91 145.59 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.2 95.28 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -173.51 131.62 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.6 t -154.63 172.64 17.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 81' ' ' VAL . 10.5 t0 -64.24 -56.85 11.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 76' ' ' VAL . 5.1 p -153.63 138.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -96.21 126.13 41.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -105.9 151.04 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -103.3 149.08 36.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.508 1.793 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG2' ' NE2' ' A' ' 106' ' ' HIS . 1.5 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.553 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 37.64 39.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -125.63 -157.34 9.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.907 ' HB2' HD11 ' A' ' 37' ' ' ILE . 16.8 pt-20 -139.27 123.92 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 8.6 tt -107.5 133.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD1' HD13 ' A' ' 37' ' ' ILE . 25.3 m-85 -96.57 141.02 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 99' ' ' VAL . 92.4 t -137.17 148.49 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.8 p -137.2 102.23 9.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.51 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 -1.34 11.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -73.65 -53.18 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 41' ' ' GLU . 3.3 mp -74.99 -40.0 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' CYS . 69.0 t -55.74 -54.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' ARG . 4.2 tt0 -52.69 -50.24 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.92 -44.12 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 18.2 m120 -64.44 -34.86 79.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -77.91 -28.24 49.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.7 mtp180 -70.36 -27.38 64.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.3 pt-20 -85.21 -25.8 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -117.96 20.49 13.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 31.9 t30 38.77 31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 32.3 t30 -74.29 156.81 36.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 1.016 HG22 ' HG2' ' A' ' 93' ' ' GLU . 3.8 m -73.5 97.0 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.26 -40.24 67.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 1.016 ' HG2' HG22 ' A' ' 91' ' ' THR . 5.0 pt-20 -56.38 -55.64 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 9.6 ttpt -63.3 -36.92 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' OE1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -54.74 -40.72 69.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.6 tt -76.36 -43.78 39.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 93' ' ' GLU . 2.0 mp -50.2 -42.81 52.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 26.3 mt-10 -55.61 -48.48 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -63.94 -24.81 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 21' ' ' LEU . 65.0 t -78.23 -58.27 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 105' ' ' LEU . 37.3 pt -68.79 -17.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -51.29 -23.92 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.37 -47.28 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.549 HG12 HG23 ' A' ' 25' ' ' VAL . 6.3 mt -79.85 -48.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -46.12 -50.69 15.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -63.42 -41.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.602 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 106' ' ' HIS . 1.1 mt -77.8 0.87 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -80.26 -6.11 57.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.477 0.179 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -59.97 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -42.22 63.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.384 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 130' ' ' VAL . 11.5 tt0 -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -30.36 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -57.37 6.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 9.5 m-85 -73.37 -37.72 65.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -56.42 -44.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.53 -41.68 83.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -44.11 97.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.746 HG12 HD22 ' A' ' 17' ' ' LEU . 96.0 t -76.64 -41.86 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.818 ' CZ2' HG21 ' A' ' 91' ' ' THR . 8.8 t90 -66.74 -13.58 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 107.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.5 -28.16 14.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -87.68 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.033 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -56.63 -20.82 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 108.047 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -47.66 -38.59 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.0 m -56.67 -17.56 9.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.46 86.85 39.95 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.0 -161.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -146.04 142.31 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.595 HG22 HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -117.28 146.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -149.07 163.34 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.21 -132.88 11.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 pt-20 -166.01 142.67 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.732 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 144.42 139.68 3.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -44.23 125.41 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.73 -30.78 1.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -56.89 -54.29 48.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.784 . . . . 0.0 109.981 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -43.97 91.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.083 ' CD2' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.27 -30.86 60.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.43 -52.45 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -52.26 -22.42 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.3 -51.27 18.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -103.74 32.86 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -70.42 -50.74 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.0 pt-20 -61.91 -35.28 77.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 11.2 tptt -60.67 -41.72 95.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.7 mt -75.84 -27.79 57.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.7 mt-10 -66.6 -19.78 65.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 1.9 mt-10 -78.37 -53.54 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 21' ' ' LEU . 18.9 pt -51.71 -49.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 21' ' ' LEU . 3.4 m -61.69 -43.5 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 19.9 tttm -58.29 -40.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -63.27 -52.03 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.31 -60.22 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.55 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.8 tt -143.76 -59.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 98.38 34.25 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -164.11 64.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.788 HG21 HD22 ' A' ' 107' ' ' LEU . 7.6 p -124.22 171.56 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -138.74 108.96 6.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.561 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.4 t -112.99 105.43 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' OD1' HD22 ' A' ' 5' ' ' LEU . 2.3 m-20 -95.21 104.19 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -91.22 129.79 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 1.016 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.0 mp -101.94 108.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 8' ' ' GLY . 22.7 mt -81.42 121.87 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.852 ' CG2' HD12 ' A' ' 44' ' ' ILE . 11.5 m -150.24 142.62 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.757 ' HB3' HD13 ' A' ' 79' ' ' LEU . 50.1 m -81.2 -170.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.62 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -67.84 -49.0 64.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -35.48 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.11 75.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.852 HD12 ' CG2' ' A' ' 39' ' ' VAL . 6.1 tt -84.86 -30.59 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -47.17 45.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.63 -43.52 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 1.5 tm? -50.64 -51.59 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 23.7 t-20 -59.58 -33.99 72.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 5.9 mt-30 -64.38 -25.59 68.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.09 -22.94 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.65 -49.89 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -31.72 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.88 -0.88 70.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 16.7 pt20 -133.34 167.86 19.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -86.59 100.87 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 4.9 mmm180 -143.08 104.14 5.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 61' ' ' LEU . 9.6 t -166.43 164.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.74 -48.91 72.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.635 HG11 HG12 ' A' ' 99' ' ' VAL . 1.5 p -155.97 137.36 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -97.21 127.99 43.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -117.53 144.1 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 2.7 m-30 -78.05 152.86 79.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' GLY . 16.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 85.9 t80 37.22 30.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -116.37 -124.21 3.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 37' ' ' ILE . 2.5 pm0 -142.78 153.12 42.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -137.85 129.57 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 1.016 ' CE2' HG21 ' A' ' 37' ' ' ILE . 25.4 m-85 -85.46 119.16 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.637 HG22 ' HB ' ' A' ' 99' ' ' VAL . 80.1 t -107.15 151.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 80' ' ' ILE . 51.0 t -149.04 93.72 4.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 3.86 5.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -70.43 -57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.567 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -74.8 -42.3 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 t -52.12 -55.96 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.9 -37.16 75.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.71 -36.54 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 43.1 m-80 -76.28 -39.97 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.714 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . . . -65.85 -25.57 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -64.55 -54.47 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -75.42 -38.22 59.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -88.91 9.09 26.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 38.53 31.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.63 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 40.1 t30 -75.23 156.28 35.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.764 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.11 97.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.368 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -53.6 -36.85 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.654 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.2 -40.54 94.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -71.63 -34.92 70.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.714 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 1.1 tt0 -62.04 -47.22 85.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.083 HD13 ' CD2' ' A' ' 13' ' ' LEU . 4.0 tt -72.92 -30.67 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.696 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -60.55 -27.7 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 102' ' ' HIS . 51.5 mt-10 -70.37 -58.03 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 76' ' ' VAL . 22.7 m -56.4 -23.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 96' ' ' LEU . 73.2 t -73.64 -58.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.777 ' CD1' HG23 ' A' ' 130' ' ' VAL . 29.4 pt -72.57 -16.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLU . 12.1 t-160 -50.65 -30.73 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.79 -50.52 5.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 77.2 mt -66.31 -54.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.37 -47.37 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.438 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.9 m170 -52.85 -28.41 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.788 HD22 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -88.2 -28.02 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.08 -17.05 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 127' ' ' LYS . 74.7 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.531 0.205 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.88 -62.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.47 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -59.19 -33.45 70.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 8.5 tt0 -69.74 -38.06 76.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -71.91 -22.06 61.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.51 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.535 ' HB2' HD12 ' A' ' 101' ' ' ILE . 9.8 m-85 -73.01 -37.19 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.777 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -56.32 -40.72 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.06 -51.99 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -53.57 56.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.689 HG12 HD21 ' A' ' 97' ' ' LEU . 84.1 t -62.85 -43.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -66.81 -12.87 60.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 107.926 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.77 -32.21 25.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.49 -59.48 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.077 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.5 m95 -54.14 -21.32 8.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.3 OUTLIER -54.61 -32.32 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 m -71.11 -9.03 57.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -143.54 69.53 17.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PRO . . . . . 0.46 ' HA ' ' OE2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' HD12 ' A' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.432 0.158 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.0 mp -105.65 141.08 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 124.76 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.92 127.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.524 HD11 ' CG1' ' A' ' 37' ' ' ILE . 1.1 pt? -141.54 162.91 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.24 -150.01 20.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -163.25 142.55 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 135.56 143.77 4.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.2 tttt -40.09 104.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.753 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 176.34 -44.13 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 38' ' ' LEU . 11.8 t -64.57 -54.01 38.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -55.72 -37.18 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -72.64 -29.98 63.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -52.52 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.06 -20.92 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -73.11 -50.35 23.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.81 37.58 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -68.03 -58.43 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 51.7 mt-10 -57.72 -30.18 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -57.88 -41.88 83.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 HG11 ' A' ' 100' ' ' VAL . 7.0 mt -76.36 -34.39 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HA ' HG12 ' A' ' 25' ' ' VAL . 23.9 mt-10 -58.91 -20.36 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.85 -52.68 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 21' ' ' LEU . 42.8 pt -61.66 -45.5 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.3 p -63.15 -41.64 93.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -66.31 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -57.68 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -44.02 -61.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 30' ' ' GLY . 16.8 tt -148.93 -58.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 101.08 49.35 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -166.22 56.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 107' ' ' LEU . 25.5 t -124.79 163.09 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 17.7 m80 -142.75 103.17 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.85 113.1 41.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.7 m120 -93.68 110.96 22.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -97.11 135.02 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.9 mp -112.52 107.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 11' ' ' SER . 14.3 mt -79.7 119.29 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.2 m -144.42 135.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 p -72.11 -165.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 80' ' ' ILE . 19.8 tt0 -68.08 -52.71 32.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -67.45 -43.65 80.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.8 70.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.642 HD13 ' SG ' ' A' ' 77' ' ' CYS . 7.1 tt -80.67 -32.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -47.81 45.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.19 -49.89 11.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.2 tm? -45.14 -33.65 2.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.9 t-20 -65.68 -51.62 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.25 -23.19 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.76 -51.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.11 -24.01 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.05 9.13 70.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' NE2' ' HG2' ' A' ' 52' ' ' ARG . 1.9 pt20 -108.63 150.84 26.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -107.29 96.24 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.11 133.19 0.56 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.29 22.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 t -153.78 172.98 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' OG1' ' A' ' 58' ' ' THR . 8.0 t0 -68.64 -54.78 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.615 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.6 p -154.69 137.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.55 128.1 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.2 m -108.21 147.87 30.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.2 129.65 50.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 109.0 2.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.5 pt? -170.22 130.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.84 86.71 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 68' ' ' GLU . 4.9 mt-10 -123.07 -177.65 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -110.6 -76.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' O ' HD11 ' A' ' 65' ' ' LEU . 2.7 p -174.85 -60.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.645 ' H ' HG13 ' A' ' 70' ' ' VAL . 81.1 t80 41.15 36.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.582 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -113.44 -165.75 16.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.1 pt-20 -126.56 114.77 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -106.97 145.93 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.8 m-85 -108.36 142.0 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 99' ' ' VAL . 75.5 t -131.0 155.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 44' ' ' ILE . 4.7 p -142.21 101.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 1.44 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -73.66 -51.88 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 41' ' ' GLU . 5.3 mp -75.22 -36.77 37.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.709 HG13 ' HG2' ' A' ' 95' ' ' GLU . 96.6 t -59.43 -51.22 75.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.76 -41.11 90.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -53.43 -36.25 61.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 24.6 m-80 -78.64 -38.68 39.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -66.91 -26.54 66.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -54.06 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -78.22 -37.08 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 3.2 t80 -84.0 7.17 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER 38.38 37.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 5.8 t-20 -87.12 160.01 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.414 ' HG1' ' HB3' ' A' ' 94' ' ' LYS . 29.4 p -87.29 98.57 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -42.22 -26.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.8 pt-20 -63.74 -45.83 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -69.55 -51.61 33.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.709 ' HG2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -53.13 -35.46 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.339 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.878 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.3 tm? -81.1 -38.24 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -57.42 -33.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 70.3 mt-10 -58.19 -55.74 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 96' ' ' LEU . 4.9 m -61.47 -27.02 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.824 HG11 HD11 ' A' ' 21' ' ' LEU . 44.1 t -68.72 -57.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.865 HD11 HG23 ' A' ' 130' ' ' VAL . 38.4 pt -74.18 -16.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 106' ' ' HIS . 13.3 t-80 -52.12 -28.6 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.18 6.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.0 mt -73.86 -53.92 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.19 -27.42 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 102' ' ' HIS . 3.1 m170 -64.32 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.53 -1.27 26.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -66.78 -30.29 70.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 110' ' ' TYR . . . -142.82 -104.05 0.49 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.8 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -36.27 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.38 95.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 112' ' ' HIS . 1.0 OUTLIER 65.52 52.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.562 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -142.79 -74.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.8 ' CE1' ' CE2' ' A' ' 110' ' ' TYR . 0.1 OUTLIER 39.3 41.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -45.35 147.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ASN . 41.0 m-20 42.26 52.01 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.06 -76.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' ASP . 4.1 p-10 -142.36 161.43 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 t -122.45 176.74 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -59.51 -26.61 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -70.4 -48.83 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.55 ' HG2' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -64.13 -29.17 70.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -68.55 -57.14 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -39.95 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -26.29 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.497 ' CB ' HD22 ' A' ' 105' ' ' LEU . 27.5 tt0 -81.68 -34.32 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -17.29 56.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -60.71 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 133' ' ' VAL . 19.8 m-85 -66.19 -31.94 73.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.865 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -59.35 -54.69 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.52 ' N ' HG12 ' A' ' 130' ' ' VAL . 7.8 pt-20 -67.65 -34.13 76.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -68.36 -48.65 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.623 HG12 HD21 ' A' ' 97' ' ' LEU . 71.9 t -71.83 -37.45 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.575 ' HB2' HD22 ' A' ' 97' ' ' LEU . 11.5 t90 -74.47 -14.76 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 108.004 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.98 -23.98 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -87.28 -58.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.799 ' CH2' HD13 ' A' ' 13' ' ' LEU . 3.0 m0 -57.44 -21.34 36.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.058 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -33.5 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.7 m -65.29 -12.1 48.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.79 70.4 81.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 143' ' ' GLU . 18.3 Cg_endo -75.04 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 m 68.8 -65.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 141' ' ' PRO . 2.0 mm-40 66.78 13.63 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.55 170.14 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 p -71.71 -66.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 28.9 t0 44.5 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 61.31 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -145.52 -83.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -47.63 135.11 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.539 0.209 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.26 133.22 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.05 127.51 52.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.99 108.52 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -128.11 159.26 35.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.14 -169.33 34.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mt-10 -138.83 142.89 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 143.06 134.42 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.8 ttpt -39.82 112.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.764 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 158.48 -28.23 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 t -57.6 -48.9 78.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -33.39 69.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.029 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -63.94 -29.47 70.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.38 -53.32 8.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.36 -20.61 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.25 -37.21 66.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.6 OUTLIER -122.43 34.76 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -57.21 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.96 -24.44 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.653 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -59.28 -34.9 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD21 ' CG1' ' A' ' 100' ' ' VAL . 6.5 mt -79.75 -32.72 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.1 -22.81 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.5 -49.45 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 104' ' ' ILE . 27.5 pt -71.63 -34.81 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -65.14 -49.67 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -69.06 -38.86 79.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -52.21 -58.29 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -69.05 -59.72 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.1 tp -174.19 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.12 70.65 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.2 t70 -164.98 53.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 33' ' ' HIS . 5.3 p -133.76 178.02 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.681 ' H ' HG22 ' A' ' 32' ' ' VAL . 68.5 m80 -150.15 104.36 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.18 114.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' HB3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -107.83 137.29 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 5' ' ' LEU . 4.2 t -112.31 142.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.928 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.0 mp -116.52 107.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 8' ' ' GLY . 11.8 mt -79.02 116.29 19.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.833 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.0 m -142.6 136.69 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -76.66 -170.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.742 ' HA ' HD11 ' A' ' 80' ' ' ILE . 16.9 tt0 -59.81 -52.61 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.75 -49.55 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.79 -39.48 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.5 tt -82.89 -31.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -49.3 -47.86 46.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.3 mt-10 -79.45 -49.28 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.589 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tm? -45.29 -34.33 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.4 t-20 -66.35 -44.57 82.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.487 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.01 -23.53 59.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.24 -31.37 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -127.36 -53.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -69.55 -17.74 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.45 16.99 11.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.55 135.62 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -92.95 94.54 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -174.97 132.92 0.47 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.1 t -156.32 173.9 16.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 58' ' ' THR . 25.8 m-20 -73.01 -49.02 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.71 136.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.08 126.52 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -90.9 141.11 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 6.4 t80 -79.59 135.74 56.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -168.9 35.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -56.89 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LEU . 2.0 mt-10 -156.19 -168.0 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -77.71 54.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.15 111.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 107' ' ' LEU . 9.0 p -105.17 5.75 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.602 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -67.73 60.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -111.87 -140.43 8.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.928 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.5 pt-20 -133.77 113.75 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.5 pt -98.52 145.03 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CD1' HD13 ' A' ' 37' ' ' ILE . 18.6 m-85 -102.77 120.47 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 99' ' ' VAL . 42.7 t -111.23 152.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 44' ' ' ILE . 1.8 p -140.62 98.19 7.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.1 Cg_endo -75.0 2.49 6.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -81.57 -47.62 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.742 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.8 mp -79.13 -25.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.626 HG13 ' OE1' ' A' ' 95' ' ' GLU . 42.6 t -76.58 -54.79 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 11.8 pt-20 -48.49 -49.5 35.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 10.6 pt-20 -59.6 -29.0 67.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.82 -34.51 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.03 -28.0 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.6 pt-20 -76.35 -24.61 54.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -117.2 13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 45.69 29.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.436 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 10.6 t-20 -74.59 156.81 36.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.711 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.5 m -72.31 97.63 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.03 -48.29 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.688 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -56.25 -42.22 77.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -64.38 -47.31 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.626 ' OE1' HG13 ' A' ' 81' ' ' VAL . 2.1 mm-40 -57.57 -44.25 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.029 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -65.21 -29.32 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' HIS . 47.4 mt-10 -66.05 -57.77 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 76' ' ' VAL . 31.4 m -56.84 -24.04 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.678 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.5 t -71.09 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.753 ' CD1' HG23 ' A' ' 130' ' ' VAL . 21.5 pt -72.72 -17.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.774 ' CE1' ' CE1' ' A' ' 106' ' ' HIS . 35.7 t60 -51.58 -27.98 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -41.78 13.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 24' ' ' ILE . 15.9 mt -79.44 -54.1 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.48 -32.3 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.774 ' CE1' ' CE1' ' A' ' 102' ' ' HIS . 1.9 m-70 -61.43 -56.69 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.544 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.581 ' HB2' HG12 ' A' ' 70' ' ' VAL . 3.2 tt -85.08 8.29 18.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -82.44 -29.87 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' TYR . . . -126.47 -101.11 1.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.624 ' CD1' ' C ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -37.05 148.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 111.028 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.43 -23.52 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.497 ' CG ' ' O ' ' A' ' 112' ' ' HIS . 25.6 p-80 -152.65 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 64.81 138.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -141.67 34.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 3.7 tt0 81.77 83.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 118' ' ' ASN . 0.1 OUTLIER -61.04 -45.11 96.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 119' ' ' SER . 1.6 t-20 65.98 164.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 118' ' ' ASN . 0.7 OUTLIER 163.04 120.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -73.75 -29.89 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.6 -43.45 89.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 126' ' ' GLN . 21.7 mmt -70.19 -46.87 63.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -53.99 -53.18 56.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.21 -61.11 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 1.5 mttt -56.52 -24.46 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.528 ' HB2' HD22 ' A' ' 105' ' ' LEU . 11.7 tt0 -77.03 -37.27 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -17.89 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -61.03 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 101' ' ' ILE . 16.3 m-85 -65.84 -33.46 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.753 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.23 -55.13 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.43 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.3 mm-40 -63.32 -28.24 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -52.7 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.653 HG13 ' HB3' ' A' ' 20' ' ' LYS . 99.5 t -71.71 -30.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.711 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.6 t90 -78.87 -13.78 59.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.62 -31.0 21.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.11 -57.52 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.015 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.5 m95 -55.07 -21.62 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.98 -43.44 73.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -17.28 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -125.87 77.22 70.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.425 1.75 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.84 -60.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 -178.32 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.56 -27.11 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.13 148.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.65 108.54 1.99 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 63.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -149.43 -88.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 53.26 175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LYS . 1.4 ptm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.499 0.19 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.39 156.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.52 126.94 41.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.565 HG21 ' HA ' ' A' ' 11' ' ' SER . 1.9 mt -105.2 135.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -148.68 160.55 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.28 -161.08 35.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 3.4 mt-10 -141.8 141.71 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.75 136.99 3.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.24 107.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 162.96 -30.23 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' HG21 ' A' ' 4' ' ' ILE . 59.9 p -55.6 -53.61 54.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -71.84 -43.01 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -52.03 -31.33 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.6 -52.67 8.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.33 -20.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -71.89 -40.06 69.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -120.94 36.68 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -57.37 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.9 -30.06 71.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 133' ' ' VAL . 6.1 tptt -57.14 -37.14 71.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HG12 ' A' ' 100' ' ' VAL . 1.4 mt -81.35 -30.39 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.78 -21.08 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 mt-10 -72.11 -50.15 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 104' ' ' ILE . 31.6 pt -64.45 -42.39 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.83 -48.33 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 43.1 tttt -67.37 -33.34 75.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.4 tttt -61.58 -43.74 98.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' C ' HG22 ' A' ' 29' ' ' ILE . 5.0 tp10 -78.38 1.89 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 28' ' ' GLU . 10.1 tp 45.01 52.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA3' HD11 ' A' ' 107' ' ' LEU . . . -126.17 89.52 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.26 97.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 107' ' ' LEU . 31.2 m -132.64 -166.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -150.54 120.55 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.5 t -105.83 111.01 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 8.9 m-20 -91.57 108.99 20.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.4 t -98.73 132.03 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.971 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.7 mp -110.55 108.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 7.2 mt -79.62 121.78 25.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HD12 ' A' ' 44' ' ' ILE . 34.0 m -149.6 141.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 44' ' ' ILE . 3.6 p -78.34 -164.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HA ' HG22 ' A' ' 44' ' ' ILE . 37.5 tt0 -74.1 -38.38 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -75.12 -38.3 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.33 -38.9 74.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 40' ' ' SER . 1.3 tt -76.38 -32.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -47.13 57.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.1 mt-10 -79.44 -49.33 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -45.57 -40.73 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.9 t-20 -62.22 -44.15 97.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.0 -23.9 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' GLU . 47.9 mt-30 -62.4 -20.08 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.55 -54.58 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' ASN . 13.6 mmt180 -74.47 -22.1 59.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 62.45 11.95 37.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 6.4 mt-30 -106.77 136.39 46.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -90.84 95.43 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -174.58 128.34 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.564 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.0 t -155.09 171.46 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.5 -52.78 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.38 134.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.0 OUTLIER -94.83 128.97 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 m -111.21 141.44 44.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -84.82 140.19 37.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.11 2.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.833 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.4 pt? -170.39 114.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.66 87.84 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.1 -174.62 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -38.96 -55.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' OD2' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -127.9 -73.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.833 ' O ' HD11 ' A' ' 65' ' ' LEU . 10.1 p -168.78 -55.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 19.0 t80 38.23 29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.57 -155.09 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 1.1 mt-10 -121.86 119.13 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.958 ' O ' HD12 ' A' ' 37' ' ' ILE . 34.6 pt -107.1 143.08 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.971 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.0 m-85 -103.55 128.26 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 24.5 t -123.06 149.33 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.7 p -138.39 104.0 7.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 1.55 7.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -75.48 -57.36 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.1 mp -70.79 -33.25 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 77' ' ' CYS . 54.3 t -63.93 -50.68 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 92' ' ' PHE . 44.2 mt-10 -65.32 -42.64 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.39 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.89 -52.3 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -56.61 -28.38 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 1.1 mtm105 -61.13 -45.0 96.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.56 -22.12 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -101.19 11.0 40.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 37.0 t30 39.86 29.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' PHE . 48.5 t30 -81.66 156.32 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.688 HG21 ' CH2' ' A' ' 134' ' ' TRP . 19.0 p -74.76 97.61 3.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.626 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -48.22 -26.82 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.0 pt-20 -69.04 -43.67 74.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -68.76 -51.37 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.703 ' OE1' HG13 ' A' ' 81' ' ' VAL . 1.3 tm-20 -53.49 -36.09 61.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.7 tm? -80.81 -35.74 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.831 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' HIS . 17.0 mt-10 -62.36 -55.21 30.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 1.7 m -55.47 -25.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 21' ' ' LEU . 73.4 t -76.07 -57.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.905 HD11 HG23 ' A' ' 130' ' ' VAL . 2.4 pt -66.95 -16.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.928 ' HA ' HD23 ' A' ' 105' ' ' LEU . 11.7 t60 -51.86 -39.02 58.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.08 62.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.524 ' CD1' HD11 ' A' ' 24' ' ' ILE . 66.4 mt -80.02 -25.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.928 HD23 ' HA ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -55.35 -44.9 76.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 3.7 m-70 -58.42 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.729 HD11 ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -59.01 -23.8 62.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -57.06 -30.47 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.47 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 163.66 -175.88 39.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER 67.73 139.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 111.004 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.56 71.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -175.22 -63.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.567 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 179.72 116.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.463 ' CD1' ' CZ ' ' A' ' 110' ' ' TYR . 20.1 p90 -116.53 23.99 11.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.79 -51.71 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.13 143.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.59 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -173.96 165.97 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.14 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -79.26 -41.13 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.237 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -65.7 -33.64 76.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.08 -36.74 82.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -52.47 -30.81 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 4.2 mttp -64.13 -29.88 70.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.53 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -17.89 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -72.39 -55.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 12.0 m-85 -69.59 -29.97 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.905 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -60.23 -55.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 130' ' ' VAL . 8.6 pt-20 -67.41 -34.13 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.9 OUTLIER -65.19 -47.68 76.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.831 HG12 HD21 ' A' ' 97' ' ' LEU . 72.7 t -79.8 -31.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.688 ' CH2' HG21 ' A' ' 91' ' ' THR . 9.3 t90 -79.49 -12.88 59.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -49.77 -29.04 12.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.92 -57.07 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 93' ' ' GLU . 3.9 m95 -56.57 -20.3 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.34 -28.33 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 m -69.47 -7.45 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.36 79.64 24.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.04 -87.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 61.0 p -36.92 140.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.11 -20.94 12.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.341 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.77 -61.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -178.25 171.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.7 t0 176.92 143.39 0.24 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 144.27 64.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 95.24 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' H1 ' ' H ' ' A' ' 32' ' ' VAL . 8.3 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.705 ' H ' HD12 ' A' ' 2' ' ' ILE . 1.2 mp -102.18 155.62 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -141.68 127.8 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 38' ' ' LEU . 8.8 mt -89.92 100.72 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -87.45 139.67 30.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.98 -143.31 46.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.61 157.12 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.88 157.57 7.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -40.09 104.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.92 -30.63 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.163 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' HD13 ' A' ' 38' ' ' LEU . 2.1 t -56.27 -54.77 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -69.39 -43.2 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.102 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -51.43 -31.8 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.03 -53.15 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.22 -20.53 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.69 -51.21 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.36 35.66 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -70.79 -50.71 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -61.18 -31.37 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 133' ' ' VAL . 4.3 tptt -59.64 -37.7 79.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.64 ' CD1' HD11 ' A' ' 14' ' ' LEU . 3.9 mt -79.05 -28.7 43.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 7.5 mt-10 -64.04 -20.95 66.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.32 -52.42 10.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 104' ' ' ILE . 39.5 pt -59.83 -46.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.2 p -64.85 -42.52 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 18.8 tttt -64.92 -35.91 82.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -64.46 -42.54 95.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.06 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 30' ' ' GLY . 10.4 tt -140.27 -62.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.64 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 106.0 32.23 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -169.53 92.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -140.92 -169.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' VAL . 1.3 p-80 -151.83 108.6 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.582 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 34' ' ' VAL . 2.2 t -129.68 102.1 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.8 m120 -102.09 103.03 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.6 133.8 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.764 ' CG1' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -92.34 107.6 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 4' ' ' ILE . 14.1 mt -81.82 113.58 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' HB ' ' A' ' 44' ' ' ILE . 18.8 m -144.29 136.77 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 p -71.54 -165.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 44' ' ' ILE . 20.3 tt0 -73.17 -41.63 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -43.89 56.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.64 -37.59 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 39' ' ' VAL . 7.5 tt -80.33 -33.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -47.93 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.83 -34.45 45.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.5 -53.0 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.87 -44.84 78.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' OE1' ' CA ' ' A' ' 54' ' ' GLN . 5.5 mm-40 -50.31 -32.2 16.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -53.65 -28.08 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -119.61 -47.69 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -69.69 -30.24 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.76 3.56 55.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CA ' ' OE1' ' A' ' 49' ' ' GLN . 17.6 pt20 -138.34 161.22 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.28 104.23 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 5.7 mmm180 -142.17 104.63 5.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.819 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -167.53 171.4 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -74.68 -47.55 31.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.7 p -155.56 131.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.787 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.37 138.79 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 t -106.91 139.84 40.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.657 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.8 t80 -80.15 142.1 54.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.0 109.0 2.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -172.61 36.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 2.5 tpt -41.31 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 15.6 mm-40 -135.22 -169.92 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 2.1 tt0 -34.5 -50.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 106' ' ' HIS . 0.0 OUTLIER -141.29 -69.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.4 p 178.51 -62.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.661 ' H ' HG13 ' A' ' 70' ' ' VAL . 42.0 p90 37.9 29.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.676 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.17 -111.31 2.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 4.5 pt-20 -146.42 160.63 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.56 132.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 37' ' ' ILE . 46.8 m-85 -83.08 119.02 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 99' ' ' VAL . 33.1 t -112.79 146.24 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.5 ' SG ' HD13 ' A' ' 44' ' ' ILE . 5.1 p -145.28 96.35 4.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.824 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.98 0.07 9.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.38 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 58' ' ' THR . 3.2 mp -76.07 -35.36 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 77' ' ' CYS . 86.0 t -54.12 -52.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.6 -49.47 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -35.99 71.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 80' ' ' ILE . 19.2 m120 -77.92 -30.83 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.985 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -76.72 -36.33 57.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 -26.73 48.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.59 -24.92 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -135.06 -75.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER 169.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.985 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.4 t30 -89.03 134.8 33.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.7 p -73.75 97.93 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -40.69 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 97' ' ' LEU . 13.8 pt-20 -59.23 -53.48 57.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 4.1 ttpt -63.59 -52.22 61.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.98 -30.43 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.961 HD22 HD21 ' A' ' 13' ' ' LEU . 5.6 tt -81.6 -41.43 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.806 HD23 ' HB ' ' A' ' 133' ' ' VAL . 1.6 mp -53.86 -29.23 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 102' ' ' HIS . 76.6 mt-10 -63.98 -52.52 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 96' ' ' LEU . 27.5 m -62.05 -25.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.519 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.3 t -75.92 -57.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.8 ' CD1' HG23 ' A' ' 130' ' ' VAL . 18.5 pt -70.8 -16.47 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 98' ' ' GLU . 68.4 t60 -51.93 -30.18 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.64 -49.81 5.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 60.3 mt -66.54 -52.64 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.849 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.13 -32.63 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.674 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -59.4 -57.45 12.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -11.39 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -65.8 -22.42 66.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.575 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 161.43 173.6 30.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.615 ' CD1' ' C ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER 61.01 139.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 110.994 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -121.61 -50.31 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 163.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.412 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 5.8 tt0 -87.76 113.39 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -119.65 68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -52.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.51 -67.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.56 171.96 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.1 p -160.07 88.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -75.68 -42.36 51.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -60.56 -43.01 97.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 30.9 tpp -59.55 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -38.5 57.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.78 -54.39 27.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -61.21 -24.37 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' HG3' HD11 ' A' ' 101' ' ' ILE . 1.8 tt0 -81.3 -34.79 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -18.63 51.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.99 -53.38 17.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 101' ' ' ILE . 2.9 m-85 -72.91 -37.34 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.7 t -55.26 -55.34 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.13 -31.0 70.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -54.36 8.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.806 ' HB ' HD23 ' A' ' 97' ' ' LEU . 42.8 t -68.91 -27.13 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.502 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.4 t90 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.94 -26.7 11.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.66 -58.49 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.8 m95 -58.57 -21.14 52.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.5 mmm180 -56.39 -29.32 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -4.51 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -141.88 63.87 16.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.3 Cg_endo -75.01 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER 38.74 79.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -47.26 142.78 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.5 t70 44.48 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 p -129.69 168.37 16.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 64.94 104.68 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -170.38 78.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.98 -178.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' CE ' HG21 ' A' ' 25' ' ' VAL . 5.7 ptt? . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.515 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.9 mp -96.07 156.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 146.54 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.53 157.02 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 HG13 ' A' ' 37' ' ' ILE . 8.7 mt -130.9 157.97 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.4 -129.95 33.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -163.64 161.53 23.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 144.83 139.75 3.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -38.85 104.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.603 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.38 -27.77 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 3.9 t -60.49 -53.52 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.42 63.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.012 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.1 -30.06 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.775 ' CD2' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.05 -50.71 12.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -51.55 -20.72 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -73.6 -44.85 56.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.794 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -114.28 42.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -54.03 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.14 -35.66 79.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.25 -35.92 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD23 HG21 ' A' ' 133' ' ' VAL . 8.7 mt -80.13 -28.61 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.4 mt-10 -64.56 -19.48 65.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -77.07 -54.02 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -51.71 -46.97 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.654 HG13 HD13 ' A' ' 104' ' ' ILE . 22.7 m -61.42 -43.99 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -67.92 -27.81 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 6.7 tttp -70.39 -43.78 69.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' C ' HG22 ' A' ' 29' ' ' ILE . 1.4 tm-20 -96.78 13.61 27.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 ' C ' ' A' ' 28' ' ' GLU . 8.4 tp 44.13 55.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.86 -59.81 2.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 49.5 80.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 107' ' ' LEU . 4.9 m -148.27 -161.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -138.1 115.33 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 34' ' ' VAL . 2.3 t -106.01 101.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -95.62 99.9 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.1 m -87.39 141.65 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.1 mp -104.64 108.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HG13 ' A' ' 39' ' ' VAL . 8.2 mt -80.67 118.09 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 44' ' ' ILE . 13.9 m -152.33 140.26 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 33.3 p -73.91 -164.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' HA ' HD11 ' A' ' 80' ' ' ILE . 50.0 tt0 -73.02 -43.26 62.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -27.69 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HB2' ' N ' ' A' ' 40' ' ' SER . 45.1 mt-10 -74.83 -42.59 57.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.687 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.0 tp -76.44 -30.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.07 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.26 -46.28 20.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 2.6 tm? -49.63 -53.38 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 5.0 t-20 -56.07 -27.29 52.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -24.82 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.4 -22.02 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -129.87 -53.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 6.2 tpt85 -71.23 -24.15 62.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.28 13.22 35.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.06 140.75 46.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.13 95.32 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.56 128.55 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.653 ' CG2' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -144.39 13.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.5 m-20 76.32 -52.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.3 p -154.87 130.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.653 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.39 133.34 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 t -115.3 149.99 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -85.02 145.67 43.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 107.04 2.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.6 pt? -177.35 45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.73 78.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 8.7 mt-10 -129.93 -171.85 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -85.53 19.97 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -169.22 104.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 11.4 p -76.61 -55.87 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 6.9 p90 31.84 37.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -122.32 -138.89 5.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.869 ' HB2' HD11 ' A' ' 37' ' ' ILE . 4.6 pt-20 -129.7 159.1 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 12.1 tt -149.35 117.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 60' ' ' VAL . 85.2 m-85 -76.56 134.51 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 47.7 t -125.1 149.46 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 93.5 7.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.413 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 1.81 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -57.22 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -70.54 -41.66 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 92.3 t -53.37 -53.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 10.7 tt0 -56.02 -45.05 79.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -54.71 -44.3 73.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.51 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.09 -26.89 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 10.9 mtt180 -72.0 -39.68 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.6 -9.65 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -128.99 14.44 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 34.9 t30 38.83 36.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -73.96 171.9 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.51 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 18.0 m -86.37 97.36 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -50.12 -36.68 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 1.1 mp0 -66.48 -46.88 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.4 OUTLIER -64.87 -47.98 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.8 -43.53 69.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.819 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.55 -34.45 65.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.735 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -59.71 -30.45 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' HIS . 27.6 mt-10 -60.56 -56.72 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 2.9 m -61.46 -24.21 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.775 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -68.92 -52.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 130' ' ' VAL . 49.5 pt -80.69 -16.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 98' ' ' GLU . 52.9 t-80 -51.42 -28.73 13.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.89 -51.14 4.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.759 ' O ' HD23 ' A' ' 107' ' ' LEU . 81.4 mt -68.98 -54.93 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.837 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.7 -24.19 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -58.46 -67.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.54 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.77 -19.76 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -56.66 -22.45 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.2 -121.91 0.73 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.616 ' CE1' ' SD ' ' A' ' 122' ' ' MET . 12.0 m-85 56.45 92.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.5 t0 178.35 95.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.3 m170 53.75 46.73 25.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.32 -48.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.33 -50.48 64.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.44 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -175.89 179.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.85 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.71 -48.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.89 137.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -45.91 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -47.47 76.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.616 ' SD ' ' CE1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -69.84 -48.05 60.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -56.87 -38.88 73.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.95 -54.26 28.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.472 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 5.0 mtmm -55.94 -24.36 37.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.745 ' HB2' HD22 ' A' ' 105' ' ' LEU . 15.0 tt0 -75.92 -38.9 57.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -67.94 -34.81 77.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -53.18 -50.9 63.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 2.7 m-85 -72.76 -45.12 60.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.46 -45.6 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.1 mt-10 -67.38 -42.2 83.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.51 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.735 HG12 HD21 ' A' ' 97' ' ' LEU . 92.2 t -71.85 -39.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.9 t90 -75.95 -13.19 60.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.25 -33.31 23.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.58 -54.02 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.794 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.2 m95 -56.89 -20.14 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.31 -35.32 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -15.74 19.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -116.76 83.4 14.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.24 58.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.54 15.27 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -166.63 135.42 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -101.63 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.78 101.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.85 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 166.19 55.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.26 112.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.523 0.202 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.22 155.12 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -146.26 148.21 32.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.91 149.63 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 37' ' ' ILE . 17.9 mt -129.38 163.06 26.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 54.13 -133.26 45.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.4 156.94 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.81 136.98 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -38.27 104.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.93 -28.34 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.84 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -43.39 81.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.076 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -49.64 -33.71 16.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.0 -47.75 23.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.18 -24.66 7.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -68.87 -47.86 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.34 41.26 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -47.85 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.82 -34.38 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.76 -35.99 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD23 HG21 ' A' ' 133' ' ' VAL . 4.5 mt -79.42 -27.53 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.59 -19.81 65.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -53.24 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.6 pt -51.41 -45.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.66 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -67.17 -48.51 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 25' ' ' VAL . 1.4 tppt? -57.17 -41.48 79.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -60.07 -48.89 79.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.01 -61.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 30' ' ' GLY . 7.1 tp -147.95 -57.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.482 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 90.37 54.77 2.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -169.61 66.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 107' ' ' LEU . 7.5 p -136.07 160.57 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.412 ' N ' HG22 ' A' ' 32' ' ' VAL . 5.1 m-70 -127.25 101.72 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG11 ' HA3' ' A' ' 103' ' ' GLY . 14.2 t -120.21 105.36 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -99.27 138.9 35.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.768 ' C ' HD13 ' A' ' 37' ' ' ILE . 2.8 t -108.72 137.57 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.822 ' N ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -99.63 106.37 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.2 108.31 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.572 HG23 ' HB ' ' A' ' 44' ' ' ILE . 14.8 m -144.44 137.21 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 2.2 p -67.67 -163.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 80' ' ' ILE . 22.8 tt0 -71.81 -49.79 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -35.29 74.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 mt-10 -60.94 -37.47 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.9 OUTLIER -83.29 -30.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -48.39 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 6.0 mt-10 -80.64 -49.13 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.47 -35.31 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 10.4 t-20 -57.46 -55.04 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 7.9 pt20 -69.51 -27.31 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -56.41 -20.9 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.7 m-85 -129.82 -51.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ASN . 19.9 mmt85 -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.6 -1.27 62.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.12 152.67 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -102.35 100.69 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -172.89 126.49 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 174.29 13.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.644 ' CG2' HD12 ' A' ' 61' ' ' LEU . 3.6 t -166.14 170.86 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -69.16 -59.01 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.3 p -145.39 136.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -96.46 129.4 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 m -101.93 130.35 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 12.1 t80 -83.58 141.92 42.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.99 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 64' ' ' PRO . 57.2 mt -131.45 58.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.437 ' CE ' ' HG2' ' A' ' 113' ' ' GLU . 12.8 mmt -71.84 57.02 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' GLU . 9.9 mp0 -113.26 -171.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -36.03 -50.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.876 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.0 m-20 -145.37 -89.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 69' ' ' ASP . 1.4 t -173.35 130.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.6 p90 -163.23 45.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.67 -113.32 2.44 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -157.7 160.19 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -137.17 139.99 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.859 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.0 m-85 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.716 HG11 HG21 ' A' ' 99' ' ' VAL . 44.2 t -130.33 151.03 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.85 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.9 m -145.87 101.08 4.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.51 -53.59 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.874 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.7 mp -75.05 -39.42 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 77' ' ' CYS . 62.1 t -53.56 -49.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 15.8 mt-10 -68.87 -48.15 64.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -44.27 73.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -37.73 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -67.07 -28.47 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtm180 -67.21 -35.5 79.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -84.68 -21.87 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.3 t80 -112.04 15.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . 36.8 t30 39.56 30.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' PHE . 14.2 t30 -75.82 158.4 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' HG2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -82.52 97.9 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -52.59 -24.83 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.802 ' HG2' HG22 ' A' ' 91' ' ' THR . 10.5 pt-20 -73.91 -50.41 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 32.5 ttpt -66.37 -42.99 87.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.527 ' CD ' HG13 ' A' ' 81' ' ' VAL . 8.7 tt0 -54.71 -43.21 72.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.831 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.1 tt -74.18 -42.5 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -51.35 -32.4 25.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' HIS . 24.3 mt-10 -62.27 -52.84 62.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 96' ' ' LEU . 10.6 m -63.18 -25.68 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.725 HG23 HD23 ' A' ' 96' ' ' LEU . 44.6 t -71.05 -56.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 130' ' ' VAL . 20.3 pt -75.75 -15.44 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' GLU . 67.0 t60 -51.08 -33.12 24.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 34' ' ' VAL . . . -79.58 -52.83 4.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.66 HG23 HG12 ' A' ' 25' ' ' VAL . 68.0 mt -61.95 -52.67 57.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.54 -36.28 22.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.6 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -60.16 -47.45 85.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -79.36 -16.91 55.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -66.96 -26.56 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.8 153.69 9.0 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -166.81 -173.76 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 112' ' ' HIS . 6.5 m-20 -79.67 62.34 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER 39.29 77.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.537 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 66' ' ' MET . 7.8 mp0 59.39 118.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.242 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -123.72 -39.1 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER 68.68 67.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 117' ' ' LYS . 35.9 m-20 60.01 -86.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER 45.73 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -67.67 -68.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.465 ' O ' ' OG ' ' A' ' 119' ' ' SER . 5.7 p 36.79 84.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -71.37 -54.13 11.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.59 -46.75 80.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -29.19 70.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.74 -34.13 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -46.15 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -28.75 66.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 101' ' ' ILE . 5.9 tt0 -80.59 -34.31 35.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -17.43 54.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -67.18 -59.79 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.592 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.3 m-85 -67.53 -36.73 81.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.816 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.04 -56.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.9 tt0 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -48.93 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 21' ' ' LEU . 93.0 t -71.1 -35.26 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.5 t90 -71.3 -13.67 61.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.53 6.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.38 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.73 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.0 m95 -56.37 -21.34 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -52.44 -23.61 6.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 m -75.6 -1.47 24.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.85 81.05 12.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.7 m 39.42 82.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' ASP . 4.1 tp10 -76.87 164.32 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' GLU . 5.4 t70 -40.03 104.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t 173.93 79.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.29 132.86 0.73 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 161.83 102.46 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.5 tttt 70.02 165.13 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CB ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -96.46 157.1 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 124.1 42.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.24 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -90.06 145.96 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.73 -148.11 17.97 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.105 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -162.47 168.58 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.86 159.32 8.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -39.54 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.728 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 153.02 -37.33 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 54.3 p -54.98 -53.97 48.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.58 -42.82 99.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.848 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.4 -32.71 62.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.5 -53.51 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.21 -20.03 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -71.52 -37.49 71.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.725 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -127.9 38.88 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -54.28 27.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -20.6 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -62.8 -37.32 86.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 14' ' ' LEU . 16.1 mt -80.54 -34.69 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 25' ' ' VAL . 19.9 mt-10 -54.64 -20.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.16 -52.2 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.738 HG21 ' CD1' ' A' ' 129' ' ' TYR . 11.0 pt -71.45 -26.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.11 -42.55 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -52.59 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -51.54 -45.62 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.49 -61.06 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' H ' ' A' ' 31' ' ' ASP . 5.0 tt -145.69 -53.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.04 -27.2 0.34 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' H ' HG23 ' A' ' 29' ' ' ILE . 13.7 t0 -161.61 130.19 4.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.687 ' CG2' HG22 ' A' ' 25' ' ' VAL . 13.5 t -129.5 159.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.67 110.01 17.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 74' ' ' ILE . 1.3 t -134.84 104.23 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -84.71 126.79 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.07 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.5 mp -94.32 108.09 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 13.2 mt -84.15 111.28 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.873 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.4 m -137.02 131.71 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 11.1 p -69.18 -164.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.72 ' HA ' HD11 ' A' ' 80' ' ' ILE . 17.2 tt0 -70.39 -48.49 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.25 -36.3 71.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' SER . 6.7 mm-40 -64.06 -39.72 94.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.1 tt -79.6 -34.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.54 43.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.1 mt-10 -79.46 -48.94 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.9 tm? -44.71 -42.42 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 6.6 t-20 -57.82 -41.39 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.4 tt0 -79.67 -25.99 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -57.11 -23.96 50.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.04 -50.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -70.22 -19.09 63.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.29 6.18 56.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -110.91 144.06 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -99.47 95.65 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 3.5 ppt_? -174.23 130.04 0.48 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.61 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.3 t -152.87 171.41 18.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 29.7 m-20 -61.76 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 76' ' ' VAL . 12.1 p -146.19 138.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.61 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.67 130.74 46.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.5 m -112.77 148.32 35.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -78.83 146.81 69.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.2 pt? -178.07 98.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.39 101.55 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -160.81 -177.94 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 4.5 mt-10 -81.2 51.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 1.1 m-20 155.3 120.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -90.66 -53.39 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 18.3 p90 33.27 36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.713 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -115.56 -134.18 5.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.7 pt-20 -127.25 151.59 48.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.688 ' N ' HD13 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -131.31 118.23 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 1.07 ' CD1' HD13 ' A' ' 37' ' ' ILE . 65.1 m-85 -85.29 126.45 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.626 HG21 ' CG2' ' A' ' 99' ' ' VAL . 14.9 t -127.62 148.2 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.775 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.81 104.51 11.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.417 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 -6.37 17.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -73.74 -53.98 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.72 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -76.89 -39.67 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.0 t -56.7 -58.4 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.1 pt-20 -55.88 -46.18 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -52.52 -31.57 36.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 7.0 m120 -78.98 -49.93 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.07 -27.22 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 4.1 mtp-105 -66.88 -43.16 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.5 pt-20 -76.36 -17.64 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.7 t80 -115.77 13.21 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' ALA . 33.8 t30 41.22 28.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.699 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 47.7 t30 -81.53 150.39 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.873 HG22 ' HG2' ' A' ' 93' ' ' GLU . 2.3 m -69.69 96.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -43.1 -42.7 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.8 OUTLIER -56.43 -41.57 76.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' HZ3' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -65.58 -47.94 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.615 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt0 -57.14 -37.37 71.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.848 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -81.2 -29.91 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.4 -39.32 88.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' HIS . 9.0 mt-10 -58.75 -55.55 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 76' ' ' VAL . 19.4 m -58.13 -22.06 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 97' ' ' LEU . 2.2 t -77.5 -59.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.866 ' CD1' HG23 ' A' ' 130' ' ' VAL . 44.9 pt -71.27 -16.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.656 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -54.04 -48.29 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.29 -53.03 49.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 24' ' ' ILE . 47.9 mt -63.54 -42.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -49.03 -52.87 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.656 ' CD2' ' O ' ' A' ' 102' ' ' HIS . 22.5 m-70 -55.96 -38.29 70.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.96 9.06 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -77.53 -30.14 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.63 47.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.669 ' CZ ' ' HE1' ' A' ' 122' ' ' MET . 2.0 p90 -173.83 127.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 112' ' ' HIS . 0.5 OUTLIER -52.27 127.46 22.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.454 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.9 t60 -35.26 138.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER 77.92 -54.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 1.8 t80 67.95 -63.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -156.14 118.22 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.54 175.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -50.3 19.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -172.2 146.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -119.27 -170.8 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.51 -46.49 63.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -48.9 74.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.669 ' HE1' ' CZ ' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.46 -29.79 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.02 -61.2 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.22 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 105' ' ' LEU . 16.8 tt0 -73.25 -38.49 65.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -24.52 60.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -57.1 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CD1' HG21 ' A' ' 24' ' ' ILE . 12.2 m-85 -72.99 -43.82 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.866 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.22 -51.66 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.2 mm-40 -60.55 -26.0 66.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.57 -52.95 6.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.734 HG12 HD21 ' A' ' 97' ' ' LEU . 95.1 t -66.09 -49.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.861 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.4 t90 -65.49 -13.16 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.77 -31.66 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.8 -56.08 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 93' ' ' GLU . 6.9 m95 -56.41 -20.57 20.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.4 mmt85 -52.41 -30.62 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -14.57 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.74 65.76 47.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 141' ' ' PRO . 50.5 p -35.93 -51.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 177.07 166.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -67.96 101.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -167.7 -57.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.26 137.34 97.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 140.96 57.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.39 108.67 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.247 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.444 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 2.3 mp -97.44 148.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.21 123.37 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.97 110.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 35' ' ' ASN . 1.1 pt? -125.62 163.21 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.48 -174.69 40.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.86 140.97 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.34 141.31 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -39.65 105.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.624 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.8 -35.19 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 45.1 t -55.44 -51.29 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.44 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.63 -32.05 12.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.16 -47.98 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.83 -19.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.49 -48.77 21.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -117.7 40.58 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.7 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.68 -58.02 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 2.1 mt-10 -57.91 -35.01 70.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.72 -40.44 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG21 ' A' ' 133' ' ' VAL . 6.5 mt -77.95 -28.87 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' HA ' HG12 ' A' ' 25' ' ' VAL . 5.5 mt-10 -65.94 -20.8 66.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.8 mt-10 -74.91 -52.95 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 104' ' ' ILE . 24.7 pt -54.21 -43.98 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 22' ' ' GLU . 8.8 p -73.28 -41.95 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 3.4 ttmt -53.5 -53.74 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -60.34 -49.79 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -44.8 -60.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.6 tp -138.97 -61.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 160.46 -62.14 0.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.78 147.03 42.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 107' ' ' LEU . 6.2 m -141.04 -158.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 71' ' ' TYR . 20.1 m80 -141.44 97.69 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 34' ' ' VAL . 2.1 t -123.69 102.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.654 ' HB3' HD21 ' A' ' 5' ' ' LEU . 8.3 m-80 -95.64 105.98 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.01 131.0 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.0 mp -114.29 107.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.7 mt -84.12 120.16 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.647 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.6 m -142.8 136.35 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -70.16 -164.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' H ' HD22 ' A' ' 79' ' ' LEU . 34.3 tt0 -73.58 -51.33 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.73 -32.35 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -31.2 69.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.647 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -88.85 -28.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -49.67 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.23 -49.77 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 75' ' ' TYR . 2.4 tm? -44.01 -36.79 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' ND2' HD11 ' A' ' 61' ' ' LEU . 5.3 t-20 -61.18 -50.6 72.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -71.68 -24.8 61.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -58.81 -19.42 41.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -129.93 -53.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.87 -0.22 72.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -105.01 147.21 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.79 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.3 97.87 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -169.23 130.89 1.07 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.78 15.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.552 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -166.2 171.86 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.64 -69.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.442 ' CG2' HG22 ' A' ' 76' ' ' VAL . 1.4 p -136.63 135.47 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.492 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.65 126.31 40.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.427 HG23 HD12 ' A' ' 74' ' ' ILE . 63.8 m -104.07 141.13 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -77.71 128.92 78.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 107.02 2.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -177.61 62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.372 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.496 ' C ' ' O ' ' A' ' 65' ' ' LEU . 5.4 tpt -29.08 -54.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' MET . 3.7 tt0 35.17 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -18.39 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' C ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -168.77 -67.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG22 ' C ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -166.04 -65.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.596 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 91.0 t80 41.97 35.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 65' ' ' LEU . . . -132.33 -136.59 3.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.911 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.3 pt-20 -135.6 120.21 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.804 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 37' ' ' ILE . 5.6 tt -104.92 142.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 37' ' ' ILE . 49.7 m-85 -103.66 129.72 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 99' ' ' VAL . 3.0 t -122.03 152.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 81' ' ' VAL . 42.6 t -138.98 99.37 8.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 0.03 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -71.32 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -75.53 -41.96 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 77' ' ' CYS . 61.8 t -53.34 -56.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 12.9 pt-20 -62.91 -47.47 83.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 9.4 tp10 -53.64 -36.56 62.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' ND2' HG22 ' A' ' 80' ' ' ILE . 12.3 m-80 -75.07 -35.94 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -72.52 -28.35 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -63.6 -34.39 77.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -84.8 -20.75 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -109.5 12.31 24.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 34.4 t30 43.49 27.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 88' ' ' PHE . 9.0 t-20 -79.59 156.84 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.6 p -70.91 98.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 1.3 t80 -50.77 -30.36 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.7 pt-20 -73.18 -41.62 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -66.03 -49.76 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.4 -42.13 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.912 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -74.0 -36.62 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -57.12 -29.44 63.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.6 mt-10 -62.51 -56.71 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 96' ' ' LEU . 25.9 m -60.24 -25.58 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 21' ' ' LEU . 25.2 t -69.71 -57.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.808 ' CD1' HG23 ' A' ' 130' ' ' VAL . 23.2 pt -74.55 -16.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.4 t-80 -50.7 -32.44 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.36 -49.59 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 108' ' ' ALA . 69.4 mt -65.63 -54.37 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.1 -27.1 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -66.43 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.563 ' CD1' HG11 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -70.43 -15.96 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -58.87 -17.74 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.93 54.83 6.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 111' ' ' ASP . 40.2 p90 -57.02 -42.53 80.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.488 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 t70 -178.18 145.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -63.08 80.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 111' ' ' ASP . 18.0 tt0 64.14 115.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -101.53 56.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 72.85 -73.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 117' ' ' LYS . 4.6 t0 -170.69 73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 116' ' ' ASP . 2.9 tttt 84.26 -51.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.431 ' OD1' ' CD1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER 69.28 -65.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER 78.73 -59.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -49.68 -52.83 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 1.4 mp0 -74.09 -50.36 19.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.529 ' HE1' HD13 ' A' ' 105' ' ' LEU . 23.9 tpp -52.78 -29.03 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' SER . 63.8 t80 -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.14 -61.54 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 2.1 mttp -56.53 -29.41 61.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.535 ' O ' HD11 ' A' ' 101' ' ' ILE . 12.4 tt0 -76.06 -36.61 58.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -75.1 -17.4 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -59.34 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 18.0 m-85 -70.19 -37.55 75.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -54.47 -43.7 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 tt0 -60.25 -50.13 74.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -57.72 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 HD23 ' A' ' 21' ' ' LEU . 85.6 t -60.95 -47.89 91.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.3 t90 -64.74 -13.67 55.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.53 -26.18 9.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.22 -62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.736 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.2 m95 -56.3 -20.61 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.12 -32.28 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.6 m -73.26 -17.06 61.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 66.53 72.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.7 OUTLIER -36.03 132.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 1.3 44.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 14.4 t70 -111.81 -56.24 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 144' ' ' ASP . 1.2 m 83.94 113.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.77 134.25 9.9 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.86 3.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 150.55 104.27 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 7.2 mttp 56.25 -172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.3 mmt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.52 0.2 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.8 mp -96.46 136.72 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.47 111.71 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.57 HG21 ' CB ' ' A' ' 11' ' ' SER . 8.1 mt -86.74 125.47 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -139.09 158.05 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.07 -137.49 13.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -169.96 140.73 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.23 140.49 3.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -40.77 106.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.65 -31.21 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.57 ' CB ' HG21 ' A' ' 4' ' ' ILE . 5.6 t -68.75 -46.91 67.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.048 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.36 73.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.879 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.28 -32.51 64.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.31 -52.38 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.3 -19.12 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -76.11 -49.36 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.25 37.91 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 2.7 pm0 -53.86 -30.43 45.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -65.82 -34.83 79.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 HG21 ' A' ' 133' ' ' VAL . 11.2 mt -80.42 -31.47 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -60.23 -22.84 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.52 -51.96 20.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.617 HG13 HG21 ' A' ' 104' ' ' ILE . 45.4 pt -66.75 -44.51 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -60.22 -43.66 93.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -68.93 -54.16 16.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -44.87 -44.35 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CG ' ' CD1' ' A' ' 107' ' ' LEU . 9.5 tp10 -53.37 -52.16 60.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.613 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.3 tp -145.48 -61.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 152.16 -55.2 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -120.03 120.25 35.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -135.5 -166.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 77.4 m80 -156.25 110.93 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 34' ' ' VAL . 1.1 t -125.37 111.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m-80 -95.4 122.76 38.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.7 t -113.91 128.77 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.956 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.6 mp -107.85 112.54 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.1 mt -85.24 113.43 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.862 ' CG2' HD12 ' A' ' 44' ' ' ILE . 17.4 m -138.56 138.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -75.68 -164.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' ILE . 28.9 tt0 -72.48 -52.23 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -27.05 62.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.41 -32.15 62.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.862 HD12 ' CG2' ' A' ' 39' ' ' VAL . 3.4 tt -87.12 -28.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.97 -48.63 32.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.02 -49.43 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -46.01 -30.16 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 8.0 t-20 -65.55 -56.83 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 3.9 pt20 -71.13 -23.6 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.91 -25.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.98 -50.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 15.7 mmt180 -71.36 -22.1 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 75.07 -1.43 55.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -98.02 134.74 40.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.64 98.55 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -174.31 133.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.437 ' CG2' HD12 ' A' ' 61' ' ' LEU . 4.2 t -160.86 168.31 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 22.1 m-20 -60.38 -68.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 76' ' ' VAL . 14.9 p -137.32 135.74 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.41 130.6 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.6 m -108.74 148.65 30.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.777 ' HB3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.24 157.02 78.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.733 ' O ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.021 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER 168.57 -51.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER 28.43 68.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -116.03 -177.23 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.57 -32.58 51.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -137.39 85.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.021 HG23 HD11 ' A' ' 65' ' ' LEU . 3.5 p -38.57 -49.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 81.5 t80 36.67 32.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.49 -145.29 7.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.946 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.7 pt-20 -121.83 120.44 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 19.1 tt -107.71 134.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.956 ' CD1' HD13 ' A' ' 37' ' ' ILE . 45.4 m-85 -96.68 139.6 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.059 HG11 HG21 ' A' ' 99' ' ' VAL . 31.1 t -133.98 152.04 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 24.7 p -142.99 104.23 5.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.97 4.2 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -74.65 -53.37 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.69 -37.78 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.9 t -59.85 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.2 pt-20 -58.96 -47.38 85.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -52.44 -32.8 41.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -79.52 -47.12 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -59.25 -27.96 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -61.07 -40.99 95.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -83.97 -21.29 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -105.5 13.27 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 37.77 32.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 53.5 t30 -86.04 156.26 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.1 p -80.16 97.5 6.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -44.46 -30.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.592 ' O ' HD12 ' A' ' 97' ' ' LEU . 5.6 pt-20 -60.65 -48.01 83.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.52 -44.78 77.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -57.26 -41.05 78.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -77.85 -37.15 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -56.4 -29.17 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 126' ' ' GLN . 23.9 mt-10 -66.2 -56.02 13.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.059 HG21 HG11 ' A' ' 76' ' ' VAL . 3.2 m -55.49 -23.46 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 21' ' ' LEU . 10.9 t -74.8 -58.16 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 130' ' ' VAL . 26.7 pt -68.77 -16.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' GLU . 1.7 t-160 -52.59 -38.25 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -44.8 9.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HG13 ' A' ' 24' ' ' ILE . 74.9 mt -66.2 -55.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -50.72 -36.03 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -54.12 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.19 -30.08 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -64.31 -28.27 69.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.72 145.6 15.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 9.4 p90 -169.22 -172.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -52.65 137.43 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -56.68 104.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.97 115.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.474 ' CG ' ' O ' ' A' ' 114' ' ' PHE . 23.5 t80 -125.22 68.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 0.4 OUTLIER -74.83 126.8 31.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER 74.82 154.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.0 23.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -154.45 -58.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -40.86 126.38 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -47.27 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.49 -39.52 76.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -46.45 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.3 -37.25 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.64 -39.64 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -55.9 -56.23 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' NE2' ' OE1' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -61.71 -28.5 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -58.32 -61.65 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.585 ' HB2' HD12 ' A' ' 101' ' ' ILE . 24.3 m-85 -64.6 -38.21 90.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 101' ' ' ILE . 2.2 t -54.63 -55.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 -24.52 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -50.42 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.72 HG21 HD23 ' A' ' 21' ' ' LEU . 98.2 t -74.0 -43.07 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -68.02 -13.28 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.92 -26.37 8.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.35 -61.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.61 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.7 m95 -54.51 -22.66 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.07 -51.19 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.6 m -51.0 -21.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -123.31 76.05 52.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLU . 18.2 Cg_endo -75.03 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 t 67.31 -67.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 141' ' ' PRO . 2.1 mt-10 -177.54 171.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.56 107.8 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -177.97 159.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.25 97.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.93 5.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 40.5 69.1 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 87.33 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' C ' HD12 ' A' ' 2' ' ' ILE . 1.9 ttm . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.438 0.161 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.3 mp -109.1 140.95 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 117.58 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.462 HG21 ' HA ' ' A' ' 11' ' ' SER . 2.2 mt -108.76 116.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -133.19 163.84 28.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -169.42 32.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -139.48 136.73 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 139.91 139.82 3.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -38.41 112.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.471 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.56 -25.85 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 4' ' ' ILE . 28.2 t -67.92 -55.58 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -27.04 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 1.9 tp -67.78 -34.36 76.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.08 -44.41 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.67 -28.38 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 1.2 m-20 -60.86 -50.14 74.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.41 46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.77 -58.76 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -53.91 -28.84 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -40.69 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 100' ' ' VAL . 2.2 mt -80.49 -36.73 32.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.68 -21.01 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.7 mt-10 -74.88 -47.7 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 104' ' ' ILE . 41.1 pt -77.75 -26.7 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -67.63 -47.82 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 ttmt -64.96 -45.76 84.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -60.4 -43.36 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.72 ' OE1' HD12 ' A' ' 107' ' ' LEU . 1.2 tt0 -45.94 -55.32 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 30' ' ' GLY . 15.4 tt -147.61 -52.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 133.92 -41.91 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.71 104.71 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.463 HG13 HG22 ' A' ' 25' ' ' VAL . 12.5 p -171.02 162.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' N ' HG22 ' A' ' 32' ' ' VAL . 2.1 m80 -152.86 135.05 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -106.26 133.98 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' CA ' HD21 ' A' ' 5' ' ' LEU . 1.4 m-80 -99.9 107.31 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -100.81 129.36 51.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.858 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.2 mp -107.45 112.0 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD22 ' HA3' ' A' ' 10' ' ' GLY . 7.9 mt -78.95 119.73 22.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.9 m -151.14 136.25 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -74.19 -165.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HA ' HG22 ' A' ' 44' ' ' ILE . 18.6 tt0 -73.46 -41.57 63.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -30.21 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.34 -40.11 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.1 tt -77.16 -34.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -50.12 -46.89 54.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' GLN . 4.5 mt-10 -78.52 -48.75 14.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.48 -34.13 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.636 ' ND2' HD11 ' A' ' 61' ' ' LEU . 8.4 t-20 -66.07 -51.5 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.84 -24.65 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.2 mt-30 -57.19 -22.48 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.34 -51.21 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.34 -24.37 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.94 -2.29 75.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -106.05 145.06 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 1.3 t0 -102.83 94.26 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -175.43 137.11 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.63 28.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -144.4 13.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.5 t0 81.74 -50.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 76' ' ' VAL . 12.3 p -155.69 130.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.636 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -95.78 132.5 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -114.58 150.91 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -86.91 137.9 33.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.96 107.78 2.56 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 63' ' ' PHE . 2.2 pt? -174.88 137.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.0 84.66 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -133.31 -175.99 3.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.529 ' C ' HD11 ' A' ' 107' ' ' LEU . 1.1 mt-10 -100.36 57.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.891 ' H ' HD21 ' A' ' 107' ' ' LEU . 2.6 t70 179.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD23 ' A' ' 107' ' ' LEU . 1.8 t 67.16 -68.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.622 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 8.7 p90 32.77 37.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -100.93 -161.65 27.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 3.3 mt-10 -125.6 132.35 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -126.44 143.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.858 ' CD1' HD13 ' A' ' 37' ' ' ILE . 29.8 m-85 -103.49 139.86 38.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.099 HG11 HG21 ' A' ' 99' ' ' VAL . 14.9 t -130.88 146.88 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 80' ' ' ILE . 28.8 p -136.97 102.96 9.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.352 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.0 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -59.22 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.596 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.5 mp -68.12 -41.07 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 95' ' ' GLU . 60.2 t -52.68 -44.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER -56.06 -52.73 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -36.72 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.53 -34.78 67.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.31 -28.17 47.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtt180 -68.77 -36.25 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.95 -19.09 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.48 8.06 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 52.55 20.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 1.024 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 41.2 t30 -80.61 138.7 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.901 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.57 104.63 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.581 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -60.11 -57.43 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.901 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -53.61 -43.43 68.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HG2' HG13 ' A' ' 81' ' ' VAL . 1.2 tt0 -72.51 -22.47 61.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.045 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -74.64 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.846 HD13 ' CG1' ' A' ' 133' ' ' VAL . 1.3 pp -58.4 -28.62 65.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -55.83 -37.09 68.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.099 HG21 HG11 ' A' ' 76' ' ' VAL . 5.6 m -75.04 -26.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 21' ' ' LEU . 42.0 t -68.4 -57.41 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 130' ' ' VAL . 12.3 pt -62.05 -16.34 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 3.8 t60 -51.17 -39.6 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.37 -52.7 4.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.464 HD13 HG13 ' A' ' 24' ' ' ILE . 97.3 mt -57.49 -55.21 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -51.75 -43.12 62.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CG ' ' CE2' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -54.78 -61.22 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.533 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.891 HD21 ' H ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -62.14 -22.64 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -60.29 -26.39 66.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 151.56 109.36 0.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.63 ' CE2' ' CG ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -177.97 163.05 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.17 170.09 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -51.45 100.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -177.45 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 122' ' ' MET . 42.8 m-85 -87.19 72.4 9.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 116' ' ' ASP . 20.9 pt-20 -116.0 -44.2 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -56.76 164.6 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 69.73 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -145.09 -63.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.0 m 43.27 82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -54.86 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -77.24 -42.59 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.549 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 34.6 tpp -58.18 -28.69 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.56 -45.69 63.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.62 -56.21 24.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.582 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 12.1 mttp -61.48 -31.74 71.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.86 -33.48 66.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -73.73 -28.11 61.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -58.93 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 29.0 m-85 -68.33 -41.97 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.912 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.76 -42.37 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.95 -35.4 80.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -47.38 47.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.846 ' CG1' HD13 ' A' ' 97' ' ' LEU . 71.6 t -71.27 -55.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 12.3 t90 -63.14 -14.86 53.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.5 -29.97 25.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -87.57 -55.9 3.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 15.9 m0 -59.49 -20.13 53.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -53.24 -28.54 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.4 m -78.51 -12.2 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.439 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -136.41 63.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -75.0 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 143' ' ' GLU . 0.5 OUTLIER -67.71 -44.06 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER 35.38 95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 144' ' ' ASP . 6.2 p-10 46.18 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -172.84 70.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.2 134.85 19.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -55.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.11 86.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 150' ' ' ARG . 0.1 OUTLIER -178.9 143.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.22 140.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.72 119.27 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -111.13 105.81 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -120.31 163.93 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.8 -152.65 22.55 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -157.5 146.76 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.09 136.14 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.8 106.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.6 -26.96 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -55.71 -54.41 44.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -42.99 81.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.72 -29.49 39.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.27 -49.62 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.48 -20.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.8 -50.81 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -111.87 41.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -40.38 41.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.93 -22.5 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -35.19 80.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.869 ' O ' HG22 ' A' ' 25' ' ' VAL . 3.0 mt -79.57 -27.59 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mt-10 -60.27 -18.87 52.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.67 -55.28 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 21' ' ' LEU . 17.2 pt -51.42 -50.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 m -56.79 -37.7 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -62.76 -49.99 72.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -53.01 -44.25 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' OE2' HG22 ' A' ' 29' ' ' ILE . 1.2 tm-20 -68.31 -61.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.595 HG22 ' OE2' ' A' ' 28' ' ' GLU . 12.5 tt -151.27 -53.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 106.09 -20.66 35.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.74 76.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 107' ' ' LEU . 1.8 p -137.83 173.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.492 ' H ' HG22 ' A' ' 32' ' ' VAL . 29.1 m-70 -153.57 107.46 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.547 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -110.84 105.5 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.857 ' HB3' HD21 ' A' ' 5' ' ' LEU . 4.0 m-20 -91.53 116.76 29.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.42 135.46 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.5 mp -112.71 107.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLU . 11.6 mt -80.25 120.4 24.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' HB ' ' A' ' 44' ' ' ILE . 19.9 m -143.85 139.86 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.697 ' O ' HG22 ' A' ' 44' ' ' ILE . 91.4 p -72.76 -167.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 44' ' ' ILE . 60.4 tt0 -74.78 -41.25 60.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.39 -28.97 61.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -80.55 -39.53 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt -72.13 -48.3 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 7.8 pttp -48.05 -48.06 33.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.55 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 2.4 mt-10 -73.92 -50.2 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -48.84 -43.17 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.3 t-20 -51.92 -39.66 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -82.45 -24.83 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.82 -22.07 61.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -129.03 -52.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 5.5 tpt180 -70.81 -25.61 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.07 -7.36 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -95.71 140.51 30.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -99.11 95.55 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -173.95 122.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.56 18.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 t -162.54 171.65 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.46 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.813 HG23 HG22 ' A' ' 76' ' ' VAL . 3.1 p -132.56 139.93 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD13 HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -100.72 130.64 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -105.59 135.82 46.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.679 ' O ' HD23 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -78.47 133.62 63.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 63' ' ' PHE . 1.2 pt? -171.61 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.0 mtp -41.56 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 31.2 mt-10 -127.68 -175.01 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -37.97 88.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.9 87.93 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -43.78 134.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.594 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 11.6 p90 -156.56 38.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.12 -137.38 9.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 6.9 pt-20 -131.17 114.18 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.3 pp -103.12 152.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.702 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.6 m-85 -112.4 135.37 53.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.858 HG11 HG21 ' A' ' 99' ' ' VAL . 55.0 t -127.31 154.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 80' ' ' ILE . 9.0 t -142.04 98.56 6.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -57.71 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.942 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -69.46 -41.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 89.9 t -52.8 -51.23 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 13.3 tt0 -62.76 -42.02 99.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.53 -49.23 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 80' ' ' ILE . 8.0 m120 -68.89 -28.47 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -76.97 -27.97 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.8 mtp180 -63.06 -52.0 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.04 -36.79 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ASN . 9.6 t80 -91.74 12.28 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 32.3 t30 38.57 36.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 6.0 t-20 -80.38 156.1 26.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.6 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 25.6 m -74.71 97.38 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -52.53 -28.24 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -72.35 -57.22 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB2' ' CE3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -58.32 -38.96 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -58.12 -52.09 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.91 -27.91 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 102' ' ' HIS . 11.8 mt-10 -66.48 -55.44 15.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.858 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 m -58.6 -26.84 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 96' ' ' LEU . 14.1 t -64.83 -57.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.864 ' CD1' HG23 ' A' ' 130' ' ' VAL . 42.2 pt -77.81 -15.81 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' GLU . 24.7 t-80 -51.08 -28.62 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.24 -51.93 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 25' ' ' VAL . 49.2 mt -67.23 -54.4 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.734 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -48.23 -27.18 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 19.4 t-160 -69.19 -51.42 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.614 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 32' ' ' VAL . 2.6 pp -82.57 3.95 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -74.84 -26.66 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.538 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . -177.16 -152.88 10.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.714 ' CE2' ' CE ' ' A' ' 122' ' ' MET . 0.2 OUTLIER 68.04 160.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -173.84 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.469 ' CG ' ' O ' ' A' ' 112' ' ' HIS . 43.7 p-80 -105.26 76.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 63.81 134.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.78 4.81 11.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -126.74 156.81 40.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ASN . 5.1 t70 177.26 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 65.86 -74.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' ASP . 4.7 p30 -115.69 135.12 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.94 75.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -54.01 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.26 -38.14 85.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.714 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 1.9 mmt -60.64 -51.04 71.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.4 -29.35 62.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.3 -62.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.0 tt0 -77.28 -39.08 49.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -25.57 64.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -57.03 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.5 m-85 -73.01 -40.22 65.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -56.14 -42.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -40.66 71.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.534 HG12 HD22 ' A' ' 17' ' ' LEU . 57.1 t -78.72 -39.2 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.2 t90 -76.62 -13.53 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.2 -30.42 24.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.52 -57.92 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.56 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.2 m95 -56.02 -20.64 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.61 -35.42 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.0 m -59.3 -15.14 14.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.41 84.43 18.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -75.03 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 33.6 t -38.01 -52.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -152.21 158.74 43.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -41.42 141.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t 178.26 121.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.54 150.61 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -45.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.8 45.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 73.79 137.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' CE ' ' HA ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.503 0.192 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.86 156.71 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 110.62 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mt -104.19 107.14 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -128.49 164.78 22.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 -42.99 3.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 60.37 145.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.53 163.44 11.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' PRO . 1.5 tttt -40.11 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 138.32 -26.97 2.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 38' ' ' LEU . 6.4 p -56.66 -49.77 74.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -30.2 65.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.017 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.61 -29.43 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.68 -50.88 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.05 -21.45 3.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.05 -45.72 55.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -113.12 36.45 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.83 -58.7 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 7.1 mt-10 -53.08 -40.66 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -54.92 -37.53 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 14' ' ' LEU . 7.1 mt -80.45 -30.42 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 1' ' ' MET . 16.8 mt-10 -65.88 -20.16 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.88 -52.35 10.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.009 HD12 HG21 ' A' ' 104' ' ' ILE . 16.5 pt -61.89 -41.37 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.1 -36.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -68.94 -53.03 23.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -55.74 -52.71 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -51.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG23 ' H ' ' A' ' 31' ' ' ASP . 12.5 tt -144.56 -53.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LYS . . . 153.03 -29.94 0.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 10.2 t70 -168.39 130.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -137.45 -176.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.64 ' N ' HG13 ' A' ' 32' ' ' VAL . 25.8 m-70 -135.54 113.84 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.78 115.44 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 73' ' ' GLU . 12.1 m-20 -93.52 96.17 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.46 127.32 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.949 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.5 mp -109.42 107.52 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 11' ' ' SER . 13.7 mt -89.18 112.98 24.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 44' ' ' ILE . 30.3 m -136.95 141.98 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 22.6 p -68.35 -166.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.637 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.2 tt0 -74.04 -52.84 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.04 -27.05 67.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -73.78 -43.73 58.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.795 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.2 tt -76.67 -34.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.01 -44.99 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.8 -30.41 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.74 -56.31 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 12.7 pt20 -68.64 -23.52 64.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.98 -22.42 49.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HE2' HD11 ' A' ' 47' ' ' LEU . 36.8 m-85 -129.85 -54.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.61 -24.23 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 80.88 -11.94 38.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 52' ' ' ARG . 7.8 mp0 -87.09 145.17 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.33 95.14 6.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -173.87 128.86 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.1 15.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.597 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.3 t -155.19 176.2 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -70.69 -54.93 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.0 p -151.76 135.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.54 140.14 30.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 t -126.1 151.11 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.768 ' O ' HD23 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -82.34 142.98 47.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.97 109.22 2.89 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 63' ' ' PHE . 1.6 pt? -173.8 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.54 ' HE1' ' CB ' ' A' ' 114' ' ' PHE . 7.2 mmm 27.4 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.11 -179.67 5.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -51.61 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.464 ' HB3' HD23 ' A' ' 107' ' ' LEU . 10.6 m-20 -119.02 75.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.1 p -35.93 -64.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.72 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 49.11 16.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.862 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -90.1 -139.39 7.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.826 ' HB2' HD11 ' A' ' 37' ' ' ILE . 5.2 pt-20 -129.72 133.35 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 0.812 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.38 131.68 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CD1' HD13 ' A' ' 37' ' ' ILE . 10.3 m-85 -95.54 121.67 37.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.723 HG22 ' HB ' ' A' ' 99' ' ' VAL . 72.9 t -105.86 152.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' A' ' 80' ' ' ILE . 22.4 t -142.47 97.71 6.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.488 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.04 2.78 6.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -79.97 -55.44 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.677 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.8 mp -76.06 -26.47 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 77' ' ' CYS . 68.2 t -71.89 -56.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 11.2 pt-20 -53.36 -45.08 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 4.9 tp10 -59.41 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -79.65 -39.4 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -71.49 -32.21 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 5.0 mtp-105 -77.91 -32.24 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.33 -23.82 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -128.12 -78.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 25.4 t30 165.67 43.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 56.0 t30 -90.48 150.86 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 p -71.36 97.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.5 t80 -46.14 -37.71 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 97' ' ' LEU . 3.1 pt-20 -58.13 -46.12 86.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -65.45 -46.12 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 tm-20 -56.35 -41.45 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.017 HD12 HD21 ' A' ' 13' ' ' LEU . 2.3 tm? -78.24 -29.57 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.715 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.59 -37.5 85.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 16.8 mt-10 -57.97 -58.74 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HB ' HG22 ' A' ' 76' ' ' VAL . 19.0 m -57.38 -24.27 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -74.05 -57.02 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.895 HD11 HG23 ' A' ' 130' ' ' VAL . 46.1 pt -70.87 -16.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.5 t-160 -52.02 -34.28 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.484 ' O ' HD12 ' A' ' 107' ' ' LEU . . . -80.65 -33.69 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.009 HG21 HD12 ' A' ' 24' ' ' ILE . 33.5 mt -80.4 -56.35 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 106' ' ' HIS . 1.6 pp -48.82 -50.81 32.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.896 ' N ' HD12 ' A' ' 105' ' ' LEU . 23.5 t-160 -59.51 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 32' ' ' VAL . 2.4 mt -85.47 -25.04 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -59.62 -20.37 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 110' ' ' TYR . . . 74.3 155.76 4.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 109' ' ' GLY . 57.3 m-85 -160.32 -161.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -119.13 -41.01 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -42.3 162.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.609 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.3 5.33 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.54 ' CB ' ' HE1' ' A' ' 66' ' ' MET . 13.7 m-85 47.94 37.03 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -174.75 175.89 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLU . 5.5 t70 60.24 117.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 tptt 78.27 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.94 169.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.0 p -112.75 83.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -78.74 -51.84 9.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -54.7 -44.15 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.455 ' HE3' ' CE2' ' A' ' 110' ' ' TYR . 22.4 tpp -56.03 -45.54 79.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.56 -32.14 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.42 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -52.89 -39.74 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' A' ' 105' ' ' LEU . 6.8 tt0 -66.34 -37.78 86.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -72.79 -17.87 61.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -55.96 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.629 ' CD1' HG21 ' A' ' 24' ' ' ILE . 23.1 m-85 -72.67 -35.91 67.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -55.53 -51.27 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.0 mm-40 -69.34 -36.43 76.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -52.18 55.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.715 HG12 HD21 ' A' ' 97' ' ' LEU . 72.0 t -69.26 -34.76 64.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 11.2 t90 -78.86 -13.71 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.68 -30.34 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -51.96 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.637 ' CD1' HD23 ' A' ' 17' ' ' LEU . 3.3 m95 -60.13 -21.17 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 134' ' ' TRP . 3.6 ttp180 -54.86 -38.67 67.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.5 m -63.6 -13.62 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -130.64 70.3 82.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m 43.34 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.52 -1.19 23.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 145' ' ' SER . 26.7 t0 -168.29 72.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 144' ' ' ASP . 2.4 t 160.39 88.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -113.15 121.46 38.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 156.39 46.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -160.78 159.48 30.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' H3 ' HD12 ' A' ' 2' ' ' ILE . 3.9 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.2 mp -119.02 127.23 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 121.63 26.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mt -109.4 106.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 37' ' ' ILE . 1.1 pt? -125.19 162.0 25.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.22 -166.92 38.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -142.21 140.44 32.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 150.05 132.06 1.97 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -39.02 108.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 161.51 -26.94 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t -56.47 -54.16 49.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -44.8 63.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 ' CH2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -52.04 -28.78 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -77.55 -45.44 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.31 -20.27 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -73.81 -49.29 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.582 HD21 ' CE3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.6 38.15 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.55 -56.57 5.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.2 pt-20 -60.89 -29.76 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -55.11 -42.34 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -77.07 -28.48 54.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.8 mt-10 -67.23 -18.73 65.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.7 mt-10 -76.91 -52.68 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.3 pt -52.71 -44.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -70.23 -48.79 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' VAL . 2.6 tppp? -56.05 -42.0 75.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -66.98 -61.02 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' GLY . 6.6 tp -147.05 -53.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 89.09 48.54 3.79 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.43 57.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 33' ' ' HIS . 10.4 p -123.45 166.15 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 22.8 m80 -140.07 102.25 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.27 115.13 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 5' ' ' LEU . 3.0 m120 -95.07 124.19 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.913 ' C ' HD13 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -102.17 138.03 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -110.82 107.91 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 23.1 mt -81.09 109.23 15.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 44' ' ' ILE . 31.8 m -142.01 141.15 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 0.5 OUTLIER -83.51 -169.59 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 80' ' ' ILE . 32.0 tt0 -67.55 -47.52 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.88 -29.16 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -36.38 54.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 39' ' ' VAL . 7.7 tt -80.7 -29.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -44.55 61.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.77 -49.86 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 75' ' ' TYR . 1.9 tm? -45.59 -36.75 4.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -70.19 -43.9 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 17.8 mt-30 -70.66 -24.02 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.73 -23.03 49.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -130.29 -53.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -74.37 -17.62 60.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.75 19.38 9.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 15.2 mt-30 -114.29 144.84 42.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.44 94.27 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -175.62 128.39 0.38 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.09 32.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -142.86 12.43 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.6 m-20 73.34 -54.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 99' ' ' VAL . 14.1 p -143.13 128.06 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -95.84 140.5 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 m -115.35 146.1 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.46 ' HB3' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -83.48 138.24 41.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.28 2.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.8 pt? -176.05 113.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.46 46.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.5 mm-40 -73.3 -173.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.3 mm-40 -38.64 -51.72 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.65 -66.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.765 ' O ' HD11 ' A' ' 65' ' ' LEU . 2.6 p -178.88 -61.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.64 ' H ' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 40.51 34.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -114.79 -152.38 10.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.879 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.9 pt-20 -123.62 124.13 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 20.4 tt -107.18 125.25 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 37' ' ' ILE . 29.2 m-85 -84.7 131.14 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 99' ' ' VAL . 2.1 t -121.69 154.55 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.796 ' O ' HG23 ' A' ' 81' ' ' VAL . 44.8 t -149.98 105.65 3.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 108.297 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB3' HD13 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.05 -2.16 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -68.52 -40.05 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 77' ' ' CYS . 63.8 t -52.86 -49.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.05 -46.27 81.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -60.08 -39.47 86.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -41.55 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.36 -27.12 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -70.35 -53.21 17.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 1.8 pt-20 -72.72 -28.77 62.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -101.96 9.75 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 31.3 t30 39.86 30.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.775 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 2.6 t-20 -85.71 165.94 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -94.6 97.28 10.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.459 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -49.31 -38.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.665 ' CB ' ' CE2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.44 -50.86 70.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.6 ' HG3' ' CE3' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -70.64 -47.17 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 99' ' ' VAL . 2.1 tt0 -53.0 -22.52 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.086 ' O ' HG22 ' A' ' 99' ' ' VAL . 2.8 tp -86.09 -58.56 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.1 pp -56.48 -26.6 54.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -68.51 -33.88 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.086 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -66.49 -24.03 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.813 HG11 HD13 ' A' ' 21' ' ' LEU . 34.5 t -73.92 -57.51 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.625 ' CD1' HG23 ' A' ' 130' ' ' VAL . 19.6 pt -58.74 -16.83 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -51.73 -43.88 63.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.25 -50.85 5.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.629 HG23 HG12 ' A' ' 25' ' ' VAL . 86.1 mt -55.57 -53.86 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -55.25 -35.72 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.359 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.538 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -51.46 -38.01 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.558 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -26.13 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.94 -18.2 31.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 160.52 169.77 24.23 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.691 ' CD2' ' CE ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 60.86 141.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.992 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -148.59 69.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' GLU . 49.5 t-80 -177.9 141.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -36.93 113.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.513 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 12.4 p90 -120.91 29.12 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -38.54 -53.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 174.71 81.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -44.21 -61.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 p 178.75 158.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -20.93 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.99 -49.49 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.691 ' CE ' ' CD2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -57.82 -30.79 66.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.34 -55.02 15.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.13 -36.73 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -52.56 -42.05 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 17.0 tt0 -54.48 -44.2 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -68.57 -20.92 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 125' ' ' LYS . 4.8 tttp -57.17 -58.96 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 7.4 m-85 -73.24 -34.75 66.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.625 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -59.64 -38.59 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.68 -46.68 86.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -51.73 53.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.919 ' CG1' HD13 ' A' ' 97' ' ' LEU . 52.4 t -62.02 -37.64 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 8.3 t90 -75.38 -12.77 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.53 -37.68 41.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 5.8 tt0 -87.56 -58.14 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.996 ' CH2' HD21 ' A' ' 13' ' ' LEU . 1.9 t90 -53.92 -21.2 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.033 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.568 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.92 -29.76 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.405 ' C ' ' HD3' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -64.31 -9.54 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -128.46 69.77 79.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 177.8 8.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' PRO . 14.0 m 46.3 -172.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -143.23 14.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 29.6 t0 69.83 74.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t -165.08 77.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.65 149.05 38.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.15 104.44 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 129.13 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.673 ' HE1' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.528 0.204 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.431 HD12 ' H3 ' ' A' ' 1' ' ' MET . 4.0 mp -95.99 157.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 133.78 51.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.785 HD11 HG12 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -111.19 162.49 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.94 -150.32 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.47 148.77 12.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.85 147.2 4.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.67 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 160.57 -34.61 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 90.7 p -55.51 -52.82 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -43.45 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -50.7 -35.63 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.22 -52.82 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 18' ' ' LYS . 13.7 mt-10 -51.84 -20.44 2.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -74.55 -49.04 23.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.87 39.08 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -70.86 -52.49 19.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.83 -25.31 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.676 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -64.61 -40.66 95.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 mt -79.59 -28.02 41.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 4.9 mt-10 -63.33 -17.11 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.37 -54.43 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.7 pt -51.79 -47.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 m -62.79 -33.33 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.11 -49.96 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -36.94 85.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' HD12 ' A' ' 107' ' ' LEU . 33.6 tp10 -67.31 -61.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.9 tt -148.9 -60.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.626 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . 141.16 -86.91 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -80.71 97.8 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 HG11 ' A' ' 25' ' ' VAL . 31.4 m -108.92 -169.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -150.52 98.78 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.58 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 34' ' ' VAL . 1.9 t -117.61 104.15 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.736 ' OD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-80 -93.96 107.92 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.1 t -98.03 138.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.867 HD13 ' CD1' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -114.17 110.43 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 9.5 mt -89.19 119.87 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.6 m -145.65 139.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 44' ' ' ILE . 1.4 m -72.4 -167.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 31.1 tt0 -73.45 -49.09 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.6 -41.44 31.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.794 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.3 tt -74.6 -33.35 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -43.69 43.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.32 -48.74 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.2 tm? -46.28 -28.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' ND2' HD11 ' A' ' 61' ' ' LEU . 6.5 t-20 -74.73 -52.86 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 44.8 mt-30 -60.63 -24.68 65.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -52.77 -33.03 46.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -127.5 -49.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -71.19 -17.97 62.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.06 17.25 9.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 9.9 mt-30 -114.89 142.68 46.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.17 94.16 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 130.09 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.49 35.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.456 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -143.27 10.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER 77.66 -51.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.6 p -145.05 123.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.91 123.11 39.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -128.53 121.44 28.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.415 ' O ' HD13 ' A' ' 65' ' ' LEU . 26.8 p90 -97.99 158.95 31.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.42 8.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.543 1.812 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -128.95 17.99 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' LEU . 18.8 mmt -32.92 96.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' GLU . 18.2 mm-40 -139.25 -173.29 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -36.2 -52.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.2 m-20 -158.53 86.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER 32.27 -97.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 70' ' ' VAL . 2.9 m-85 46.53 46.82 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 73' ' ' GLU . . . -117.31 -133.8 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 3.2 mt-10 -140.59 160.42 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 37' ' ' ILE . 12.4 tt -147.27 123.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.867 ' CD1' HD13 ' A' ' 37' ' ' ILE . 64.4 m-85 -83.68 129.74 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' CG2' ' A' ' 99' ' ' VAL . 2.7 t -123.31 151.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' SG ' HD12 ' A' ' 80' ' ' ILE . 44.2 t -142.6 100.3 5.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 1.43 7.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -60.5 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.464 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.1 mp -70.56 -43.77 77.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.3 t -52.67 -42.24 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.05 -52.3 63.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.42 -33.64 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.98 -37.29 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -67.15 -36.61 82.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.38 -20.88 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -112.27 13.02 20.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 40.1 30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' PHE . 43.1 t30 -76.43 171.68 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.552 HG21 ' CH2' ' A' ' 134' ' ' TRP . 1.2 p -86.76 98.31 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' C ' ' CD1' ' A' ' 92' ' ' PHE . 1.2 t80 -48.55 -30.83 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -76.55 -38.11 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.61 -51.69 47.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 mm-40 -54.02 -42.94 69.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.918 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.07 -30.35 63.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' HIS . 64.0 mt-10 -58.41 -56.19 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 76' ' ' VAL . 34.9 m -59.22 -23.05 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -75.99 -57.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.851 ' CD1' HG23 ' A' ' 130' ' ' VAL . 47.3 pt -68.68 -18.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -55.86 -43.51 77.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.75 93.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.536 HD13 HG13 ' A' ' 25' ' ' VAL . 54.6 mt -69.39 -41.52 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -49.53 -39.58 34.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.603 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 18.8 m170 -54.17 -65.84 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.659 ' N ' HG11 ' A' ' 70' ' ' VAL . 4.5 pp -62.46 -29.22 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -58.18 -18.18 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.69 131.91 6.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CE1' ' HA ' ' A' ' 106' ' ' HIS . 4.8 p90 -174.76 -173.42 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -80.39 87.39 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -40.2 152.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' GLU . 16.2 tt0 70.77 5.78 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.54 ' CD2' ' SD ' ' A' ' 122' ' ' MET . 3.2 p90 -36.37 -33.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -51.4 95.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 118' ' ' ASN . 13.1 t0 -176.81 95.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' ASP . 2.3 t-20 178.95 168.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.33 150.3 35.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -80.21 -53.54 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.38 -46.35 73.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -59.12 -51.67 69.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 127' ' ' LYS . 18.2 t80 -61.04 -41.04 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.13 -58.54 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -61.0 -25.46 66.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' HG3' HD11 ' A' ' 101' ' ' ILE . 13.1 tt0 -79.29 -32.49 43.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -78.56 -17.24 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 105' ' ' LEU . 6.0 m-85 -66.98 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -57.34 -53.66 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.4 mm-40 -64.09 -33.29 75.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -51.12 29.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.723 HG21 HD23 ' A' ' 21' ' ' LEU . 97.9 t -71.54 -33.4 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.2 t90 -77.82 -13.9 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.92 -24.64 8.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -87.09 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.529 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 6.1 m95 -55.86 -22.86 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -46.89 -42.33 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.3 m -51.92 -20.73 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -115.85 90.74 28.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -74.98 -161.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 141' ' ' PRO . 2.8 t -35.24 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.75 18.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.2 122.36 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 72.9 p -134.19 173.28 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -168.21 90.71 0.65 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 64.1 6.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 150' ' ' ARG . . . -153.72 -84.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.39 30.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 148' ' ' GLY . 7.6 mmt85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 1' ' ' MET . 2.1 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.497 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 mp -121.24 156.87 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.87 112.89 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.63 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.506 HD21 ' CB ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -119.26 165.23 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -166.24 30.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.44 137.97 22.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.35 145.71 4.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -39.0 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.63 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.02 -31.73 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -55.76 -53.53 55.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.48 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.951 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -48.7 -34.22 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -76.06 -48.22 21.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.02 -20.44 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -74.06 -51.41 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HG12 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -112.93 38.5 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.73 -59.31 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.68 -40.49 88.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.72 -30.05 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 133' ' ' VAL . 22.0 mt -81.62 -42.65 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 1' ' ' MET . 41.2 mt-10 -53.23 -20.71 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.1 mt-10 -68.37 -52.35 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CD1' HG21 ' A' ' 104' ' ' ILE . 16.0 pt -62.43 -39.42 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.714 HG23 HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.5 -45.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 10.4 tttm -67.96 -36.89 80.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.3 tttt -59.25 -52.55 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' HG2' ' CA ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -74.44 -55.96 5.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -173.92 104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -65.62 -160.04 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLY . 7.4 t70 39.14 63.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.684 ' HB ' HD13 ' A' ' 107' ' ' LEU . 12.0 m -106.92 -164.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -151.34 99.43 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.609 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 107' ' ' LEU . 3.4 t -125.03 103.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' CB ' HD21 ' A' ' 5' ' ' LEU . 2.6 m120 -96.3 104.03 15.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 74' ' ' ILE . 2.2 t -96.72 127.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.03 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.1 mp -108.73 110.4 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.3 mt -84.71 110.97 19.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.756 ' CG2' HD12 ' A' ' 44' ' ' ILE . 31.4 m -134.94 136.25 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.828 ' HB3' HD13 ' A' ' 79' ' ' LEU . 5.0 m -68.39 -164.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.1 tt0 -72.17 -50.61 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -39.83 81.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.51 -42.28 96.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.756 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.8 tt -76.44 -32.66 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -45.2 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 2.6 mt-10 -79.34 -48.53 13.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.2 tm? -45.33 -44.46 11.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ARG . 4.8 t-20 -59.87 -38.77 83.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mt-30 -77.96 -22.66 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.08 -28.0 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -128.02 -55.95 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 mpt_? -69.75 -13.59 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.64 28.23 37.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 12.0 pt20 -123.43 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.45 95.62 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.48 138.65 0.56 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.26 29.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.73 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.9 t -156.6 174.03 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -67.85 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.641 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.1 p -150.58 134.67 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.45 132.62 40.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 t -124.34 149.65 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 2.6 m-85 -80.94 142.44 52.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.01 107.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.2 pt? -175.05 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.6 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -144.02 -177.2 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 3.3 mp0 -86.85 45.12 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER 158.43 83.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.778 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.6 p -39.2 -61.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.665 ' H ' HG13 ' A' ' 70' ' ' VAL . 69.1 t80 46.83 23.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.778 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.02 -145.61 7.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.84 ' HB2' HD11 ' A' ' 37' ' ' ILE . 13.1 pt-20 -127.4 152.69 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 36' ' ' VAL . 1.9 pp -139.86 133.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 1.03 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.5 m-85 -97.47 124.72 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.641 HG22 ' CG2' ' A' ' 60' ' ' VAL . 2.5 t -117.47 149.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.668 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.2 p -137.52 101.88 8.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.828 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -71.47 -52.09 20.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.9 mp -75.26 -40.47 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 77' ' ' CYS . 99.0 t -52.62 -54.22 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -52.77 -48.38 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.1 -40.72 77.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 15.7 m120 -68.22 -34.76 76.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.53 -27.49 45.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.2 mtp180 -70.35 -30.06 66.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.8 pt-20 -80.8 -25.71 37.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -118.45 18.46 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 85' ' ' ALA . 25.8 t30 40.91 28.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.596 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 39.5 t30 -73.88 154.53 39.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.561 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -69.87 96.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 96' ' ' LEU . 2.3 t80 -45.06 -48.21 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -56.55 -48.72 76.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 2.1 ttpp -56.16 -53.16 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.9 -28.12 21.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.1 tt -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 93' ' ' GLU . 3.3 mp -48.71 -29.06 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.5 mt-10 -68.59 -55.49 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 96' ' ' LEU . 5.8 m -59.36 -23.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.567 HG23 HD23 ' A' ' 96' ' ' LEU . 77.9 t -77.92 -57.74 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 130' ' ' VAL . 3.2 pt -67.61 -16.75 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -52.77 -47.19 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.7 85.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 25' ' ' VAL . 60.0 mt -65.26 -48.53 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -51.39 -52.97 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.518 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 4.2 m80 -49.85 -34.77 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.632 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD13 ' HB ' ' A' ' 32' ' ' VAL . 2.5 mt -85.9 -24.66 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -72.19 -30.05 64.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.63 165.82 16.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 114' ' ' PHE . 14.0 m-85 -140.97 -168.87 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -118.46 170.17 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -43.37 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER 58.46 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 110' ' ' TYR . 26.8 p90 -125.31 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -129.7 152.13 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 42.38 80.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -177.87 162.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.75 -30.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 117' ' ' LYS . 70.2 m 40.17 65.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.71 -51.92 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -41.84 41.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.658 ' HE3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -50.2 -52.49 35.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.27 -37.31 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -65.25 -36.24 83.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -34.68 78.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.83 -30.73 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -78.51 -17.5 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -52.38 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.623 ' HB2' HD12 ' A' ' 101' ' ' ILE . 28.4 m-85 -71.64 -30.11 65.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -62.6 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.54 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.8 mt-10 -59.6 -46.01 90.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.63 -58.46 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 21' ' ' LEU . 75.2 t -65.98 -36.96 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.9 t90 -65.28 -13.14 57.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 107.985 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.64 -29.81 12.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.5 -58.71 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.67 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 8.0 m95 -54.64 -21.56 10.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 2.0 mmm180 -60.54 -17.41 45.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.3 m -79.53 -10.69 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 5.0 p-10 -146.52 63.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -74.99 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -36.55 120.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -38.51 138.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 t70 67.94 109.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.7 m -98.11 175.57 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 t0 64.25 127.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -173.73 97.12 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.78 -154.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.014 ' H3 ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.47 0.176 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.2 mp -140.72 152.71 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.84 133.21 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.57 142.56 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.635 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -148.8 162.74 39.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.18 -166.82 46.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.3 mt-10 -134.01 143.52 48.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.03 129.51 1.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -39.81 105.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.814 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 164.69 -33.36 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -52.4 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -66.56 -38.42 87.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -54.3 -36.99 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.75 -49.68 50.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.37 -27.73 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 12' ' ' LYS . 11.2 m-20 -65.82 -44.49 85.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.715 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -114.63 38.43 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HG2' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -68.41 -58.04 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -30.01 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.97 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.2 mt -79.94 -32.71 40.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 5.3 mt-10 -60.43 -16.91 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.6 mt-10 -79.24 -54.15 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.3 pt -51.84 -51.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.5 -52.24 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -66.23 -25.22 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.57 -66.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -87.89 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.5 OUTLIER 179.64 121.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 1.035 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -102.51 -98.85 2.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 27.8 t70 40.78 40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 30' ' ' GLY . 33.0 m -125.32 -170.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -152.18 106.64 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.612 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.34 108.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' HB3' HD21 ' A' ' 5' ' ' LEU . 27.1 m-20 -91.37 116.52 28.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 5' ' ' LEU . 2.2 t -101.91 128.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.4 mp -108.74 115.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 7' ' ' GLU . 8.6 mt -87.81 114.76 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 44' ' ' ILE . 32.9 m -136.91 137.59 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.526 ' HB2' HD13 ' A' ' 79' ' ' LEU . 52.6 p -78.69 -165.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -70.36 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -36.46 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.579 ' HB ' HG23 ' A' ' 39' ' ' VAL . 13.9 tt -81.75 -31.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -50.4 -47.73 56.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.81 -49.73 12.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.4 -26.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 7.3 t-20 -65.66 -54.62 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.29 -25.76 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -49.2 -27.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 6.7 m-85 -129.03 -45.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -71.46 -23.43 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.44 8.26 62.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 9.7 pt20 -114.36 143.14 45.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.729 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.17 97.83 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -173.68 119.49 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.35 22.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.654 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.7 t -156.81 173.49 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' OG1' ' A' ' 58' ' ' THR . 4.8 m-20 -66.81 -65.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 76' ' ' VAL . 4.3 p -134.87 135.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.41 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.3 127.29 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 t -95.42 137.81 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 5.5 t80 -77.84 148.12 75.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 106.4 2.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.5 pt? -177.26 49.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LEU . 5.0 tpt -34.6 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 2.2 mt-10 55.06 -154.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER 87.59 39.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 1.0 OUTLIER 85.95 -44.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 75.25 124.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -173.87 33.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.56 -137.54 9.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.942 ' HB2' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -136.27 114.37 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.802 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.823 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.4 tt -97.76 140.93 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.5 m-85 -103.83 133.83 48.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 99' ' ' VAL . 59.1 t -131.17 151.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.533 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.7 t -135.99 104.36 9.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.91 -52.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 58' ' ' THR . 2.8 mt -74.82 -43.54 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.3 t -52.6 -50.66 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.4 -51.95 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.22 -29.99 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.35 -48.67 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.632 ' HB2' ' OE1' ' A' ' 95' ' ' GLU . . . -63.51 -27.85 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -67.53 -38.79 84.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -80.94 -25.33 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -107.97 13.99 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 41.0 t30 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.526 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 45.8 t30 -80.96 157.8 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.819 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.6 OUTLIER -71.95 98.44 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.1 t80 -47.48 -44.27 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.4 pm0 -62.4 -38.65 90.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -66.08 -47.68 73.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' OE1' ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt0 -57.12 -43.03 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.53 -31.04 63.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -62.43 -31.03 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 44.9 mt-10 -61.54 -56.7 17.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.868 HG21 HG11 ' A' ' 76' ' ' VAL . 4.2 m -61.88 -23.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.583 HG12 HD21 ' A' ' 21' ' ' LEU . 2.9 t -69.75 -57.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.781 ' CD1' HG23 ' A' ' 130' ' ' VAL . 36.9 pt -76.27 -16.37 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.727 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.3 t-80 -50.46 -28.05 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.35 6.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.545 ' CD1' HD11 ' A' ' 24' ' ' ILE . 76.5 mt -69.47 -44.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -48.93 -44.25 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.586 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 2.0 m-70 -53.78 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.855 ' HG ' HG11 ' A' ' 32' ' ' VAL . 1.9 tm? -55.54 -31.02 61.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -62.34 -30.25 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.549 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . 143.08 177.92 18.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.636 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER 176.27 -170.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -123.69 63.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.4 m80 71.41 -72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.634 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 10.0 tt0 -172.46 122.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -93.63 52.52 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.57 178.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.73 79.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -167.94 -62.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.53 164.9 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 122' ' ' MET . 9.7 p -138.88 132.77 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -86.75 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -56.8 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.777 ' SD ' HD13 ' A' ' 105' ' ' LEU . 43.7 tpp -55.73 -26.62 46.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.4 t80 -50.54 -39.92 50.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.05 -57.76 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -41.66 71.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HG3' HD11 ' A' ' 101' ' ' ILE . 16.3 tt0 -67.62 -37.52 82.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -69.19 -25.12 64.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.566 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.9 m-85 -73.39 -38.12 65.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -61.92 -42.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.89 -37.48 86.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -45.81 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 97' ' ' LEU . 94.3 t -72.39 -40.56 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 91' ' ' THR . 9.8 t90 -73.78 -13.65 60.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.01 -29.54 20.76 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.75 -59.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.715 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.9 m95 -54.67 -22.5 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 134' ' ' TRP . 8.2 mmm-85 -52.07 -34.81 45.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.4 m -69.9 -14.53 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.97 69.18 64.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -74.98 -87.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -38.4 152.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.8 13.4 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.35 132.08 52.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.81 88.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.21 147.95 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.84 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 141.82 52.29 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -163.79 150.01 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.699 ' C ' HD12 ' A' ' 2' ' ' ILE . 21.9 ttp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.699 HD12 ' C ' ' A' ' 1' ' ' MET . 4.7 mp -138.82 157.88 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.7 mtt-85 -96.69 114.62 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 mt -102.03 106.28 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -126.76 166.47 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.82 -170.05 33.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.46 132.68 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.14 141.79 3.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -38.96 115.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.73 -37.57 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 42.0 t -57.9 -54.11 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -72.23 -43.2 64.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 5.6 tp -50.17 -32.41 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.859 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -75.86 -45.21 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.61 -20.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -72.89 -48.83 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -126.79 47.13 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.859 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -75.22 -58.13 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -49.92 -27.66 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -43.59 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD13 HG11 ' A' ' 100' ' ' VAL . 1.2 mt -79.46 -28.74 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG2' ' H3 ' ' A' ' 1' ' ' MET . 36.4 mt-10 -63.8 -17.85 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.9 mt-10 -79.82 -53.61 6.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.0 pt -50.96 -49.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.14 -52.43 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -53.21 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -41.24 -61.61 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 30' ' ' GLY . 16.2 tt -151.69 -58.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 104.12 161.98 24.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 62.69 82.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -128.15 -178.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' HG13 ' A' ' 32' ' ' VAL . 27.6 m80 -146.09 99.38 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 34' ' ' VAL . 1.4 t -126.0 110.47 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.748 ' HB3' HD21 ' A' ' 5' ' ' LEU . 12.4 m-20 -99.08 116.96 32.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.2 126.65 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.797 HG21 ' CE2' ' A' ' 75' ' ' TYR . 5.3 mp -105.33 109.25 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 6.1 mt -77.47 123.75 26.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.5 m -146.96 142.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB2' HD13 ' A' ' 79' ' ' LEU . 70.6 p -76.12 -165.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.717 ' HA ' HD11 ' A' ' 80' ' ' ILE . 30.6 tt0 -73.72 -49.26 26.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 -28.2 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.42 -34.07 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -85.55 -25.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -46.63 78.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.84 -48.54 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -45.92 -30.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.5 t-20 -62.11 -54.4 41.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 6.7 pt20 -72.81 -29.17 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -45.43 -29.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -129.77 -45.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 4.9 tpt180 -70.23 -22.6 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 72.2 3.48 57.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -107.24 136.88 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.11 95.69 9.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.05 130.7 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 4.7 t -164.8 178.42 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' OG1' ' A' ' 58' ' ' THR . 5.7 m-20 -71.86 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 76' ' ' VAL . 4.5 p -135.01 136.69 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -96.47 131.08 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -122.16 143.33 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 73' ' ' GLU . 2.3 m-85 -79.37 168.58 25.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 111.28 3.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.742 HD13 HG22 ' A' ' 70' ' ' VAL . 18.6 mt -138.76 -72.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.68 26.21 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.16 -175.44 2.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -98.13 46.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.31 93.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.742 HG22 HD13 ' A' ' 65' ' ' LEU . 1.6 t -54.65 -63.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 87.9 t80 36.06 39.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -136.03 -150.2 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -127.17 147.17 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.0 pt -138.46 151.67 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CE2' HG21 ' A' ' 37' ' ' ILE . 10.8 m-85 -110.52 131.86 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 99' ' ' VAL . 46.0 t -125.2 152.55 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.774 ' SG ' HD12 ' A' ' 80' ' ' ILE . 39.8 t -142.12 103.65 5.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 -0.19 9.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.82 -55.3 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.5 mp -72.04 -39.13 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 73.3 t -56.27 -45.85 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.58 -50.15 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -39.17 92.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 1.1 m-80 -66.72 -31.19 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.54 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -66.79 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.1 pt-20 -84.91 -17.89 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.0 9.67 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 48.98 23.44 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.441 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 8.0 t-20 -78.32 157.16 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.3 p -82.21 97.55 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -43.91 -32.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . 8.8 pt-20 -63.46 -52.89 59.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.92 -31.33 72.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.02 -23.31 58.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -77.18 -58.76 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.801 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -56.96 -26.07 59.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -58.4 -47.05 85.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.07 HG21 HG11 ' A' ' 76' ' ' VAL . 4.5 m -64.72 -24.9 36.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.89 HG11 HD13 ' A' ' 21' ' ' LEU . 25.2 t -71.91 -55.06 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.959 HD11 HG23 ' A' ' 130' ' ' VAL . 5.9 pt -65.68 -17.19 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' HD23 ' A' ' 105' ' ' LEU . 2.6 t-80 -51.93 -40.13 60.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -47.81 7.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.486 HD13 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -60.85 -54.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -51.58 -39.81 58.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.703 ' CD2' ' CE2' ' A' ' 110' ' ' TYR . 7.6 t-160 -50.96 -61.38 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.61 -16.7 63.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -68.91 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.16 129.89 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -121.76 178.52 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 112' ' ' HIS . 1.3 p30 156.41 -177.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.513 ' CB ' ' O ' ' A' ' 111' ' ' ASP . 4.0 t-80 88.39 -71.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.656 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 172.69 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CZ ' ' OH ' ' A' ' 110' ' ' TYR . 23.1 t80 51.95 31.2 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -97.02 142.04 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.25 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -177.18 -61.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -178.2 169.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.231 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m -165.46 111.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -81.93 -50.97 8.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.24 -51.82 68.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.525 ' CE ' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.57 -47.41 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.413 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 6.4 t80 -54.91 -41.96 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.4 -61.1 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -54.97 -35.5 64.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 122' ' ' MET . 1.1 tt0 -67.07 -37.96 84.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -17.34 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -57.11 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 7.0 m-85 -73.25 -37.79 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.959 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.98 -46.16 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -37.05 86.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.67 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.801 ' CG1' HD13 ' A' ' 97' ' ' LEU . 55.1 t -74.25 -54.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 10.9 t90 -59.68 -17.32 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.29 -22.71 15.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.49 -54.89 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.757 ' CD2' HD21 ' A' ' 17' ' ' LEU . 17.7 m0 -69.56 -20.65 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' TRP . 7.3 ttt180 -52.68 -31.04 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -11.11 38.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -128.2 99.37 24.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.88 15.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t 60.98 -98.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -154.11 21.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.9 -171.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.63 53.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.03 145.61 29.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.82 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 145.02 100.46 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.22 132.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' CG ' ' O ' ' A' ' 1' ' ' MET . 1.6 tmm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.176 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.4 mp -114.45 151.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.58 138.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.58 135.33 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.622 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -144.39 163.4 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.35 -161.15 38.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -140.98 144.03 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.37 131.02 2.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.74 111.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 -35.48 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -58.31 -54.3 48.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.006 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -75.32 -42.89 53.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -50.32 -39.67 46.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -65.03 -42.78 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -50.99 -23.84 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -60.8 -43.91 97.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.722 HD12 ' H ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -121.36 44.52 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -50.52 46.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -23.9 67.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -40.98 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -80.58 -32.66 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 1' ' ' MET . 6.2 mt-10 -55.97 -21.55 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.32 -53.19 11.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.9 -42.22 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -59.96 -48.55 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -68.26 -50.42 53.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LYS . 2.9 ttmm -39.75 -60.77 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 107' ' ' LEU . 9.5 tt0 -47.29 -61.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.9 tt -156.7 -47.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 90.89 48.56 3.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -160.22 50.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 25' ' ' VAL . 12.4 m -116.53 -176.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 21.8 m80 -149.91 101.23 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.8 t -110.74 101.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.489 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 1.7 m-80 -103.46 104.04 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 1.2 m -85.46 151.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.3 mp -121.03 114.29 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 11' ' ' SER . 5.5 mt -86.2 120.47 27.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.697 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.4 m -145.32 138.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.3 m -72.16 -165.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 44' ' ' ILE . 30.4 tt0 -71.71 -45.78 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.49 -39.15 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.69 -38.79 92.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.697 ' HB ' HG23 ' A' ' 39' ' ' VAL . 5.5 tt -79.17 -33.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -51.41 -46.72 62.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 3.8 mt-10 -78.51 -49.63 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 tm? -45.6 -30.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -77.38 -51.67 10.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.5 mt-30 -57.14 -25.94 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -48.48 -35.78 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.96 -46.64 1.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -69.81 -22.04 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.6 16.57 11.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 7.5 mt-30 -115.98 141.72 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 4.1 t0 -96.21 94.32 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -175.42 132.76 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.27 33.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -139.5 8.52 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 4.4 m-20 77.84 -52.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 76' ' ' VAL . 3.0 p -144.06 124.83 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.9 132.36 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 135.73 53.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' CE1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -78.88 135.65 59.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.99 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.08 HD21 HG23 ' A' ' 70' ' ' VAL . 1.1 pt? -168.89 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.551 ' C ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -24.22 -58.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' MET . 0.2 OUTLIER 34.35 -149.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.02 3.72 41.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.726 ' HB2' HD23 ' A' ' 107' ' ' LEU . 19.5 p-10 172.89 111.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.08 HG23 HD21 ' A' ' 65' ' ' LEU . 3.7 p -37.67 -59.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CA ' HD21 ' A' ' 107' ' ' LEU . 85.8 t80 35.08 39.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -125.16 -123.95 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.954 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -131.86 159.43 38.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 37' ' ' ILE . 12.2 tt -143.34 130.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 1.01 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.4 m-85 -92.26 135.46 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 60' ' ' VAL . 92.3 t -134.51 158.83 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 53.8 t -146.56 103.8 3.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB3' HD23 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -70.89 -51.19 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.4 -39.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 83.4 t -52.74 -53.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.53 -51.97 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.16 -38.95 68.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.75 -47.44 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.736 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.8 -27.1 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -67.94 -40.33 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 4.4 pt-20 -85.5 -28.82 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -103.16 12.36 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 85' ' ' ALA . 41.0 t30 38.8 30.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.736 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 4.0 t-20 -79.53 155.64 28.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.033 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.1 p -72.9 97.86 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -52.17 -27.36 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mt-10 -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.36 -54.15 50.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.07 -21.36 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.5 tm? -84.28 -59.57 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.859 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -59.24 -27.51 65.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 94' ' ' LYS . 1.1 pp20? -58.44 -29.69 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 96' ' ' LEU . 2.6 m -78.56 -28.46 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 14' ' ' LEU . 41.2 t -67.21 -57.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 130' ' ' VAL . 12.5 pt -61.2 -20.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 1.6 t60 -53.32 -41.64 65.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.17 -51.04 5.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.5 mt -55.6 -54.0 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -50.69 -46.33 58.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 105' ' ' LEU . 7.4 t-160 -57.03 -34.8 68.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 69' ' ' ASP . 3.0 mt -81.41 -19.61 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -56.3 -19.69 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 110' ' ' TYR . . . 72.89 144.59 0.6 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 109' ' ' GLY . 51.9 m-85 -155.49 -178.08 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 112' ' ' HIS . 0.4 OUTLIER -68.54 76.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 111' ' ' ASP . 41.4 t-80 82.86 -60.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER 179.93 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 115' ' ' GLU . 37.2 p90 -48.46 -44.67 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.642 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 19.1 tt0 79.05 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -112.4 -73.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -83.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.22 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.9 p -116.93 -51.41 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -50.97 -44.3 60.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 116' ' ' ASP . 22.1 tp10 -73.83 -51.84 15.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -31.44 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -78.12 -31.7 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -61.2 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.551 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -57.87 -26.91 62.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 10.5 tt0 -70.14 -32.09 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -19.0 57.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -53.04 41.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.551 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 13.2 m-85 -72.64 -32.44 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -63.12 -51.77 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -58.38 -24.76 60.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 2.3 mt-10 -82.93 -47.64 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.859 ' CG1' HD13 ' A' ' 97' ' ' LEU . 24.5 t -68.76 -52.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 1.033 ' CZ2' HG21 ' A' ' 91' ' ' THR . 13.8 t90 -61.93 -15.55 44.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.2 -25.81 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -86.35 -52.6 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.664 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 8.3 m0 -65.96 -19.32 65.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.003 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 134' ' ' TRP . 1.5 ttp180 -47.96 -40.11 21.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.6 m -55.7 -18.12 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -115.92 90.03 26.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.38 59.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.39 15.75 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -132.48 87.78 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.4 p -98.14 82.49 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.57 125.1 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 176.07 98.09 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 66.06 177.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 150' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.491 0.186 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.0 mp -100.42 148.13 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.508 ' CB ' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.77 122.69 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.47 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 1.7 mt -109.81 124.46 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -148.97 165.54 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.48 -38.14 3.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.5 mt-10 59.97 148.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 137.76 156.5 7.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 9.6 tttt -38.48 104.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.27 -27.65 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.097 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' HD13 ' A' ' 38' ' ' LEU . 70.4 p -58.49 -54.08 51.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -35.33 80.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.033 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -60.39 -33.45 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -76.32 -51.71 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.02 -20.67 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.78 -49.89 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -112.89 41.71 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' CG ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.96 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -41.64 61.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.72 -33.56 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 100' ' ' VAL . 13.3 mt -80.32 -34.67 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 25' ' ' VAL . 51.5 mt-10 -60.29 -20.14 57.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.08 -52.38 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.47 -42.97 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.715 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.32 -30.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -53.96 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.07 78.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.15 -60.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tt -137.91 -53.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.21 -30.11 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.4 124.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -128.97 178.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.9 m-70 -131.57 103.62 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -121.96 104.5 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.788 ' HB3' HD21 ' A' ' 5' ' ' LEU . 5.2 m-20 -89.91 103.16 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.01 126.87 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.7 mp -106.46 106.74 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 11' ' ' SER . 12.5 mt -87.0 119.69 27.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.923 ' CG2' HD12 ' A' ' 44' ' ' ILE . 32.7 m -146.45 138.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.936 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.1 m -66.63 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 80' ' ' ILE . 27.4 tt0 -69.6 -51.17 37.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -39.95 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 40' ' ' SER . 20.2 mm-40 -59.26 -38.74 80.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.923 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -82.36 -33.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.18 -47.63 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.9 mt-10 -78.47 -45.21 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -43.85 -37.13 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t-20 -64.47 -49.72 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 9.6 tt0 -70.57 -23.71 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' GLU . 52.3 mt-30 -60.59 -21.88 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -129.85 -54.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -70.85 -24.75 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 49' ' ' GLN . . . 82.56 -11.97 49.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -85.91 145.59 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.2 95.28 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -173.51 131.62 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.6 t -154.63 172.64 17.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 81' ' ' VAL . 10.5 t0 -64.24 -56.85 11.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 76' ' ' VAL . 5.1 p -153.63 138.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -96.21 126.13 41.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -105.9 151.04 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.864 ' HB3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -103.3 149.08 36.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.722 ' O ' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 114.96 4.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.793 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 175.6 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' LEU . 11.5 ptm 29.64 41.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 mt-10 -94.97 -168.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.734 ' HA ' HD21 ' A' ' 107' ' ' LEU . 3.0 tt0 -82.96 58.43 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' TYR . 1.3 m-20 165.15 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG2' ' NE2' ' A' ' 106' ' ' HIS . 1.5 t 67.89 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 37.64 39.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -125.63 -157.34 9.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.907 ' HB2' HD11 ' A' ' 37' ' ' ILE . 16.8 pt-20 -139.27 123.92 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 8.6 tt -107.5 133.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD1' HD13 ' A' ' 37' ' ' ILE . 25.3 m-85 -96.57 141.02 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 99' ' ' VAL . 92.4 t -137.17 148.49 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.8 p -137.2 102.23 9.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.51 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 -1.34 11.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -73.65 -53.18 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 41' ' ' GLU . 3.3 mp -74.99 -40.0 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' CYS . 69.0 t -55.74 -54.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' ARG . 4.2 tt0 -52.69 -50.24 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.92 -44.12 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 18.2 m120 -64.44 -34.86 79.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -77.91 -28.24 49.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.7 mtp180 -70.36 -27.38 64.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.3 pt-20 -85.21 -25.8 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -117.96 20.49 13.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 31.9 t30 38.77 31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 32.3 t30 -74.29 156.81 36.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.016 HG22 ' HG2' ' A' ' 93' ' ' GLU . 3.8 m -73.5 97.0 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.26 -40.24 67.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 1.016 ' HG2' HG22 ' A' ' 91' ' ' THR . 5.0 pt-20 -56.38 -55.64 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 9.6 ttpt -63.3 -36.92 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' OE1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -54.74 -40.72 69.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.6 tt -76.36 -43.78 39.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 93' ' ' GLU . 2.0 mp -50.2 -42.81 52.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 26.3 mt-10 -55.61 -48.48 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -63.94 -24.81 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 21' ' ' LEU . 65.0 t -78.23 -58.27 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 105' ' ' LEU . 37.3 pt -68.79 -17.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.1 OUTLIER -51.29 -23.92 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.37 -47.28 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.549 HG12 HG23 ' A' ' 25' ' ' VAL . 6.3 mt -79.85 -48.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -46.12 -50.69 15.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -63.42 -41.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.602 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' A' ' 68' ' ' GLU . 1.1 mt -77.8 0.87 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -80.26 -6.11 57.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . 157.57 -154.52 25.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.3 OUTLIER 64.87 179.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -163.14 76.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 113' ' ' GLU . 13.3 m80 69.99 153.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' HIS . 2.7 tt0 86.61 -44.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 110' ' ' TYR . 77.8 m-85 -72.73 -24.43 60.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.38 88.91 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 139.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.83 -70.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.11 161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -82.23 -36.16 27.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -47.02 28.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.509 ' HE1' ' CE2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -57.31 -50.36 73.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.2 -32.54 71.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -59.97 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -42.22 63.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.384 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.414 ' O ' ' HB ' ' A' ' 130' ' ' VAL . 11.5 tt0 -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -30.36 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -57.37 6.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 9.5 m-85 -73.37 -37.72 65.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -56.42 -44.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.53 -41.68 83.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -44.11 97.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.746 HG12 HD22 ' A' ' 17' ' ' LEU . 96.0 t -76.64 -41.86 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.818 ' CZ2' HG21 ' A' ' 91' ' ' THR . 8.8 t90 -66.74 -13.58 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 107.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.5 -28.16 14.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -87.68 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.033 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -56.63 -20.82 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 108.047 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -47.66 -38.59 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.0 m -56.67 -17.56 9.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.46 86.85 39.95 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.0 -161.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.5 OUTLIER -37.09 153.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 144' ' ' ASP . 1.5 mm-40 -76.38 -1.02 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 143' ' ' GLU . 3.1 t70 81.98 153.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.9 p -173.2 46.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -150.37 156.54 37.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -24.93 12.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 131.58 52.0 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 13.1 tttp 41.19 62.6 1.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.296 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mmt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.486 0.184 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.12 153.51 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -146.04 142.31 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.595 HG22 HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -117.28 146.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -149.07 163.34 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.21 -132.88 11.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 pt-20 -166.01 142.67 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.732 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 144.42 139.68 3.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -44.23 125.41 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.73 -30.78 1.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -56.89 -54.29 48.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.784 . . . . 0.0 109.981 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -43.97 91.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.083 ' CD2' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.27 -30.86 60.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.43 -52.45 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -52.26 -22.42 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.3 -51.27 18.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -103.74 32.86 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -70.42 -50.74 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.0 pt-20 -61.91 -35.28 77.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 11.2 tptt -60.67 -41.72 95.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.7 mt -75.84 -27.79 57.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.7 mt-10 -66.6 -19.78 65.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 1.9 mt-10 -78.37 -53.54 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 21' ' ' LEU . 18.9 pt -51.71 -49.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 21' ' ' LEU . 3.4 m -61.69 -43.5 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 19.9 tttm -58.29 -40.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -63.27 -52.03 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.31 -60.22 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.55 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.8 tt -143.76 -59.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 98.38 34.25 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -164.11 64.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.788 HG21 HD22 ' A' ' 107' ' ' LEU . 7.6 p -124.22 171.56 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -138.74 108.96 6.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.561 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.4 t -112.99 105.43 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' OD1' HD22 ' A' ' 5' ' ' LEU . 2.3 m-20 -95.21 104.19 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -91.22 129.79 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 1.016 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.0 mp -101.94 108.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 8' ' ' GLY . 22.7 mt -81.42 121.87 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.852 ' CG2' HD12 ' A' ' 44' ' ' ILE . 11.5 m -150.24 142.62 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.757 ' HB3' HD13 ' A' ' 79' ' ' LEU . 50.1 m -81.2 -170.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.62 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -67.84 -49.0 64.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -35.48 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.11 75.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.852 HD12 ' CG2' ' A' ' 39' ' ' VAL . 6.1 tt -84.86 -30.59 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -47.17 45.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.63 -43.52 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 1.5 tm? -50.64 -51.59 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 23.7 t-20 -59.58 -33.99 72.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 5.9 mt-30 -64.38 -25.59 68.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.09 -22.94 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.65 -49.89 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -31.72 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.88 -0.88 70.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 16.7 pt20 -133.34 167.86 19.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -86.59 100.87 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 4.9 mmm180 -143.08 104.14 5.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 61' ' ' LEU . 9.6 t -166.43 164.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.74 -48.91 72.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.635 HG11 HG12 ' A' ' 99' ' ' VAL . 1.5 p -155.97 137.36 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -97.21 127.99 43.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -117.53 144.1 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 2.7 m-30 -78.05 152.86 79.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.757 ' O ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.914 ' HB2' HG12 ' A' ' 70' ' ' VAL . 44.7 mt -152.97 69.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.52 56.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -131.3 178.39 6.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 1.3 mt-10 -88.11 38.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 2.5 t70 162.9 102.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.914 HG12 ' HB2' ' A' ' 65' ' ' LEU . 16.7 m -69.88 -40.87 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 85.9 t80 37.22 30.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -116.37 -124.21 3.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 37' ' ' ILE . 2.5 pm0 -142.78 153.12 42.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -137.85 129.57 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 1.016 ' CE2' HG21 ' A' ' 37' ' ' ILE . 25.4 m-85 -85.46 119.16 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.637 HG22 ' HB ' ' A' ' 99' ' ' VAL . 80.1 t -107.15 151.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 80' ' ' ILE . 51.0 t -149.04 93.72 4.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 3.86 5.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -70.43 -57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.567 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -74.8 -42.3 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 t -52.12 -55.96 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.9 -37.16 75.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.71 -36.54 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 43.1 m-80 -76.28 -39.97 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.714 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . . . -65.85 -25.57 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -64.55 -54.47 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -75.42 -38.22 59.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -88.91 9.09 26.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 38.53 31.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.63 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 40.1 t30 -75.23 156.28 35.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.764 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.11 97.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.368 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -53.6 -36.85 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.654 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.2 -40.54 94.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -71.63 -34.92 70.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.714 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 1.1 tt0 -62.04 -47.22 85.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.083 HD13 ' CD2' ' A' ' 13' ' ' LEU . 4.0 tt -72.92 -30.67 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.696 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -60.55 -27.7 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 102' ' ' HIS . 51.5 mt-10 -70.37 -58.03 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 76' ' ' VAL . 22.7 m -56.4 -23.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 96' ' ' LEU . 73.2 t -73.64 -58.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.777 ' CD1' HG23 ' A' ' 130' ' ' VAL . 29.4 pt -72.57 -16.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLU . 12.1 t-160 -50.65 -30.73 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.79 -50.52 5.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 77.2 mt -66.31 -54.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.37 -47.37 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.438 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.9 m170 -52.85 -28.41 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.788 HD22 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -88.2 -28.02 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.08 -17.05 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.68 129.9 4.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -75.32 177.35 6.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.733 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -81.42 -17.57 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.08 -54.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -154.22 -44.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 122' ' ' MET . 0.5 OUTLIER 45.03 43.93 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -134.71 42.54 2.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.65 27.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 144.4 17.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 119' ' ' SER . 52.6 t-20 -42.48 -65.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 118' ' ' ASN . 0.4 OUTLIER 157.44 53.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -55.1 4.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.4 -47.97 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.565 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -50.49 -32.28 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 127' ' ' LYS . 74.7 t80 -54.75 -34.53 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.88 -62.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.47 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -59.19 -33.45 70.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 8.5 tt0 -69.74 -38.06 76.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -71.91 -22.06 61.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.51 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.535 ' HB2' HD12 ' A' ' 101' ' ' ILE . 9.8 m-85 -73.01 -37.19 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.777 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -56.32 -40.72 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.06 -51.99 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -53.57 56.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.689 HG12 HD21 ' A' ' 97' ' ' LEU . 84.1 t -62.85 -43.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -66.81 -12.87 60.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 107.926 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.77 -32.21 25.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.49 -59.48 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.077 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.5 m95 -54.14 -21.32 8.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.3 OUTLIER -54.61 -32.32 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 m -71.11 -9.03 57.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -143.54 69.53 17.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.46 ' HA ' ' OE2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -37.52 140.53 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.74 13.78 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -143.0 167.85 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.3 m -102.18 149.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.59 125.47 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 149.94 62.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -44.4 136.92 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.0 mp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 124.76 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.92 127.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.524 HD11 ' CG1' ' A' ' 37' ' ' ILE . 1.1 pt? -141.54 162.91 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.24 -150.01 20.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -163.25 142.55 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 135.56 143.77 4.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.2 tttt -40.09 104.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.753 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 176.34 -44.13 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 38' ' ' LEU . 11.8 t -64.57 -54.01 38.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -55.72 -37.18 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -72.64 -29.98 63.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -52.52 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.06 -20.92 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -73.11 -50.35 23.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.81 37.58 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -68.03 -58.43 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 51.7 mt-10 -57.72 -30.18 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -57.88 -41.88 83.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 HG11 ' A' ' 100' ' ' VAL . 7.0 mt -76.36 -34.39 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HA ' HG12 ' A' ' 25' ' ' VAL . 23.9 mt-10 -58.91 -20.36 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.85 -52.68 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 21' ' ' LEU . 42.8 pt -61.66 -45.5 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.3 p -63.15 -41.64 93.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -66.31 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -57.68 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -44.02 -61.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 30' ' ' GLY . 16.8 tt -148.93 -58.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 101.08 49.35 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -166.22 56.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 107' ' ' LEU . 25.5 t -124.79 163.09 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 11.1 m-70 -142.75 103.17 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.85 113.1 41.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.7 m120 -93.68 110.96 22.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -97.11 135.02 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.9 mp -112.52 107.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 11' ' ' SER . 14.3 mt -79.7 119.29 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.2 m -144.42 135.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 p -72.11 -165.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 80' ' ' ILE . 19.8 tt0 -68.08 -52.71 32.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -67.45 -43.65 80.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.8 70.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.642 HD13 ' SG ' ' A' ' 77' ' ' CYS . 7.1 tt -80.67 -32.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -47.81 45.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.19 -49.89 11.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.2 tm? -45.14 -33.65 2.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.9 t-20 -65.68 -51.62 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.25 -23.19 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.76 -51.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.11 -24.01 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.05 9.13 70.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' NE2' ' HG2' ' A' ' 52' ' ' ARG . 1.9 pt20 -108.63 150.84 26.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -107.29 96.24 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.11 133.19 0.56 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.29 22.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 t -153.78 172.98 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' OG1' ' A' ' 58' ' ' THR . 8.0 t0 -68.64 -54.78 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.615 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.6 p -154.69 137.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.55 128.1 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.2 m -108.21 147.87 30.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.2 129.65 50.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.645 HG13 ' H ' ' A' ' 71' ' ' TYR . 2.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.645 ' H ' HG13 ' A' ' 70' ' ' VAL . 81.1 t80 41.15 36.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.582 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -113.44 -165.75 16.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.1 pt-20 -126.56 114.77 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -106.97 145.93 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.8 m-85 -108.36 142.0 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 99' ' ' VAL . 75.5 t -131.0 155.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 44' ' ' ILE . 4.7 p -142.21 101.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 1.44 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -73.66 -51.88 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 41' ' ' GLU . 5.3 mp -75.22 -36.77 37.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.709 HG13 ' HG2' ' A' ' 95' ' ' GLU . 96.6 t -59.43 -51.22 75.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.76 -41.11 90.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -53.43 -36.25 61.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 24.6 m-80 -78.64 -38.68 39.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -66.91 -26.54 66.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -54.06 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -78.22 -37.08 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 3.2 t80 -84.0 7.17 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER 38.38 37.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.527 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 46.4 t30 -87.12 160.01 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.414 ' HG1' ' HB3' ' A' ' 94' ' ' LYS . 29.4 p -87.29 98.57 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -42.22 -26.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.8 pt-20 -63.74 -45.83 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -69.55 -51.61 33.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.709 ' HG2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -53.13 -35.46 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.339 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.878 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.3 tm? -81.1 -38.24 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -57.42 -33.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 70.3 mt-10 -58.19 -55.74 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 96' ' ' LEU . 4.9 m -61.47 -27.02 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.824 HG11 HD11 ' A' ' 21' ' ' LEU . 44.1 t -68.72 -57.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.865 HD11 HG23 ' A' ' 130' ' ' VAL . 38.4 pt -74.18 -16.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 106' ' ' HIS . 13.3 t-80 -52.12 -28.6 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.18 6.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.0 mt -73.86 -53.92 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.19 -27.42 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 102' ' ' HIS . 3.1 m170 -64.32 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.53 -1.27 26.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -66.78 -30.29 70.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.522 0.201 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -39.95 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -26.29 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.497 ' CB ' HD22 ' A' ' 105' ' ' LEU . 27.5 tt0 -81.68 -34.32 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -17.29 56.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -60.71 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 133' ' ' VAL . 19.8 m-85 -66.19 -31.94 73.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.865 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -59.35 -54.69 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.52 ' N ' HG12 ' A' ' 130' ' ' VAL . 7.8 pt-20 -67.65 -34.13 76.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -68.36 -48.65 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.623 HG12 HD21 ' A' ' 97' ' ' LEU . 71.9 t -71.83 -37.45 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.575 ' HB2' HD22 ' A' ' 97' ' ' LEU . 11.5 t90 -74.47 -14.76 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 108.004 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.98 -23.98 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -87.28 -58.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.799 ' CH2' HD13 ' A' ' 13' ' ' LEU . 3.0 m0 -57.44 -21.34 36.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.058 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -33.5 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.7 m -65.29 -12.1 48.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.79 70.4 81.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.05 127.51 52.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.99 108.52 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -128.11 159.26 35.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.14 -169.33 34.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mt-10 -138.83 142.89 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 143.06 134.42 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.8 ttpt -39.82 112.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.764 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 158.48 -28.23 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 t -57.6 -48.9 78.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -33.39 69.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.029 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -63.94 -29.47 70.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.38 -53.32 8.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.36 -20.61 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.25 -37.21 66.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.6 OUTLIER -122.43 34.76 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -57.21 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.96 -24.44 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.653 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -59.28 -34.9 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.678 HD21 ' CG1' ' A' ' 100' ' ' VAL . 6.5 mt -79.75 -32.72 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.1 -22.81 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.5 -49.45 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 104' ' ' ILE . 27.5 pt -71.63 -34.81 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -65.14 -49.67 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -69.06 -38.86 79.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -52.21 -58.29 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -69.05 -59.72 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.1 tp -174.19 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.12 70.65 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.2 t70 -164.98 53.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 33' ' ' HIS . 5.3 p -133.76 178.02 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.681 ' H ' HG22 ' A' ' 32' ' ' VAL . 78.8 m-70 -150.15 104.36 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.18 114.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' HB3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -107.83 137.29 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 5' ' ' LEU . 4.2 t -112.31 142.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.928 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.0 mp -116.52 107.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 8' ' ' GLY . 11.8 mt -79.02 116.29 19.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.833 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.0 m -142.6 136.69 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -76.66 -170.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.742 ' HA ' HD11 ' A' ' 80' ' ' ILE . 16.9 tt0 -59.81 -52.61 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.75 -49.55 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.79 -39.48 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.5 tt -82.89 -31.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -49.3 -47.86 46.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.3 mt-10 -79.45 -49.28 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.589 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tm? -45.29 -34.33 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.4 t-20 -66.35 -44.57 82.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.487 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.01 -23.53 59.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.24 -31.37 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -127.36 -53.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -69.55 -17.74 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.45 16.99 11.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.55 135.62 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -92.95 94.54 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -174.97 132.92 0.47 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.1 t -156.32 173.9 16.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 58' ' ' THR . 25.8 m-20 -73.01 -49.02 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.71 136.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.08 126.52 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -90.9 141.11 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 6.4 t80 -79.59 135.74 56.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 107' ' ' LEU . 9.0 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -67.73 60.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -111.87 -140.43 8.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.928 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.5 pt-20 -133.77 113.75 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.5 pt -98.52 145.03 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CD1' HD13 ' A' ' 37' ' ' ILE . 18.6 m-85 -102.77 120.47 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 99' ' ' VAL . 42.7 t -111.23 152.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 44' ' ' ILE . 1.8 p -140.62 98.19 7.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.1 Cg_endo -75.0 2.49 6.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -81.57 -47.62 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.742 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.8 mp -79.13 -25.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.626 HG13 ' OE1' ' A' ' 95' ' ' GLU . 42.6 t -76.58 -54.79 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 11.8 pt-20 -48.49 -49.5 35.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 10.6 pt-20 -59.6 -29.0 67.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.82 -34.51 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.03 -28.0 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.6 pt-20 -76.35 -24.61 54.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -117.2 13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 45.69 29.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.436 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 46.5 t30 -74.59 156.81 36.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.711 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.5 m -72.31 97.63 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.03 -48.29 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.688 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -56.25 -42.22 77.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -64.38 -47.31 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.626 ' OE1' HG13 ' A' ' 81' ' ' VAL . 2.1 mm-40 -57.57 -44.25 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.029 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -65.21 -29.32 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' HIS . 47.4 mt-10 -66.05 -57.77 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 76' ' ' VAL . 31.4 m -56.84 -24.04 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.678 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.5 t -71.09 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.753 ' CD1' HG23 ' A' ' 130' ' ' VAL . 21.5 pt -72.72 -17.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 8.5 t-80 -51.58 -27.98 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -41.78 13.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 24' ' ' ILE . 15.9 mt -79.44 -54.1 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.48 -32.3 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 102' ' ' HIS . 1.9 m-70 -61.43 -56.69 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.544 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.581 ' HB2' HG12 ' A' ' 70' ' ' VAL . 3.2 tt -85.08 8.29 18.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -82.44 -29.87 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.21 -61.11 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 1.5 mttt -56.52 -24.46 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.528 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.7 tt0 -77.03 -37.27 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -17.89 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -61.03 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 101' ' ' ILE . 16.3 m-85 -65.84 -33.46 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.753 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.23 -55.13 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.43 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.3 mm-40 -63.32 -28.24 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -52.7 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.653 HG13 ' HB3' ' A' ' 20' ' ' LYS . 99.5 t -71.71 -30.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.711 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.6 t90 -78.87 -13.78 59.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.62 -31.0 21.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.11 -57.52 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.015 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.5 m95 -55.07 -21.62 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.98 -43.44 73.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -17.28 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -125.87 77.22 70.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.425 1.75 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.52 126.94 41.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.565 HG21 ' HA ' ' A' ' 11' ' ' SER . 1.9 mt -105.2 135.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -148.68 160.55 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.28 -161.08 35.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 3.4 mt-10 -141.8 141.71 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.75 136.99 3.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.24 107.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 162.96 -30.23 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' HG21 ' A' ' 4' ' ' ILE . 59.9 p -55.6 -53.61 54.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -71.84 -43.01 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -52.03 -31.33 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.6 -52.67 8.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.33 -20.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -71.89 -40.06 69.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -120.94 36.68 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -57.37 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.9 -30.06 71.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 133' ' ' VAL . 6.1 tptt -57.14 -37.14 71.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HG12 ' A' ' 100' ' ' VAL . 1.4 mt -81.35 -30.39 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.78 -21.08 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 mt-10 -72.11 -50.15 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 104' ' ' ILE . 31.6 pt -64.45 -42.39 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.83 -48.33 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 43.1 tttt -67.37 -33.34 75.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.4 tttt -61.58 -43.74 98.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' C ' HG22 ' A' ' 29' ' ' ILE . 5.0 tp10 -78.38 1.89 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 28' ' ' GLU . 10.1 tp 45.01 52.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA3' HD11 ' A' ' 107' ' ' LEU . . . -126.17 89.52 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.26 97.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 107' ' ' LEU . 31.2 m -132.64 -166.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -150.54 120.55 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.5 t -105.83 111.01 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 8.9 m-20 -91.57 108.99 20.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.4 t -98.73 132.03 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.971 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.7 mp -110.55 108.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 7.2 mt -79.62 121.78 25.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HD12 ' A' ' 44' ' ' ILE . 34.0 m -149.6 141.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 44' ' ' ILE . 3.6 p -78.34 -164.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HA ' HG22 ' A' ' 44' ' ' ILE . 37.5 tt0 -74.1 -38.38 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -75.12 -38.3 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.33 -38.9 74.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 40' ' ' SER . 1.3 tt -76.38 -32.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -47.13 57.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.1 mt-10 -79.44 -49.33 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -45.57 -40.73 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.9 t-20 -62.22 -44.15 97.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 22.2 mt-30 -74.0 -23.9 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' GLU . 47.9 mt-30 -62.4 -20.08 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.55 -54.58 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' ASN . 13.6 mmt180 -74.47 -22.1 59.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 62.45 11.95 37.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 6.4 mt-30 -106.77 136.39 46.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -90.84 95.43 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -174.58 128.34 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.564 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.0 t -155.09 171.46 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.5 -52.78 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.38 134.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.0 OUTLIER -94.83 128.97 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 m -111.21 141.44 44.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -84.82 140.19 37.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 71' ' ' TYR . 10.1 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 19.0 t80 38.23 29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.57 -155.09 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 1.1 mt-10 -121.86 119.13 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.958 ' O ' HD12 ' A' ' 37' ' ' ILE . 34.6 pt -107.1 143.08 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.971 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.0 m-85 -103.55 128.26 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 24.5 t -123.06 149.33 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.7 p -138.39 104.0 7.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 1.55 7.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -75.48 -57.36 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.1 mp -70.79 -33.25 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 77' ' ' CYS . 54.3 t -63.93 -50.68 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 92' ' ' PHE . 44.2 mt-10 -65.32 -42.64 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.39 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.89 -52.3 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -56.61 -28.38 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 1.1 mtm105 -61.13 -45.0 96.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.56 -22.12 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -101.19 11.0 40.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.4 t-20 39.86 29.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' PHE . 48.5 t30 -81.66 156.32 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.688 HG21 ' CH2' ' A' ' 134' ' ' TRP . 19.0 p -74.76 97.61 3.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.626 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -48.22 -26.82 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.0 pt-20 -69.04 -43.67 74.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -68.76 -51.37 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.703 ' OE1' HG13 ' A' ' 81' ' ' VAL . 1.3 tm-20 -53.49 -36.09 61.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.7 tm? -80.81 -35.74 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.831 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' HIS . 17.0 mt-10 -62.36 -55.21 30.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 1.7 m -55.47 -25.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 21' ' ' LEU . 73.4 t -76.07 -57.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.905 HD11 HG23 ' A' ' 130' ' ' VAL . 2.4 pt -66.95 -16.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.928 ' HA ' HD23 ' A' ' 105' ' ' LEU . 11.7 t60 -51.86 -39.02 58.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.08 62.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.524 ' CD1' HD11 ' A' ' 24' ' ' ILE . 66.4 mt -80.02 -25.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.928 HD23 ' HA ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -55.35 -44.9 76.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 3.7 m-70 -58.42 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.729 HD11 ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -59.01 -23.8 62.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -57.06 -30.47 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 106' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.476 0.179 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 4.2 mttp -64.13 -29.88 70.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.53 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -17.89 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -72.39 -55.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 12.0 m-85 -69.59 -29.97 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.905 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -60.23 -55.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 130' ' ' VAL . 8.6 pt-20 -67.41 -34.13 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.9 OUTLIER -65.19 -47.68 76.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.831 HG12 HD21 ' A' ' 97' ' ' LEU . 72.7 t -79.8 -31.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.688 ' CH2' HG21 ' A' ' 91' ' ' THR . 9.3 t90 -79.49 -12.88 59.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -49.77 -29.04 12.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.92 -57.07 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 93' ' ' GLU . 3.9 m95 -56.57 -20.3 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.34 -28.33 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 m -69.47 -7.45 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.36 79.64 24.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.04 -87.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 61.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.645 HD12 ' N ' ' A' ' 2' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -141.68 127.8 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 38' ' ' LEU . 8.8 mt -89.92 100.72 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -87.45 139.67 30.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.98 -143.31 46.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.61 157.12 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.88 157.57 7.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -40.09 104.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.92 -30.63 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.163 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' HD13 ' A' ' 38' ' ' LEU . 2.1 t -56.27 -54.77 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -69.39 -43.2 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.102 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -51.43 -31.8 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.03 -53.15 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.22 -20.53 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.69 -51.21 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.36 35.66 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -70.79 -50.71 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -61.18 -31.37 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 133' ' ' VAL . 4.3 tptt -59.64 -37.7 79.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.64 ' CD1' HD11 ' A' ' 14' ' ' LEU . 3.9 mt -79.05 -28.7 43.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 7.5 mt-10 -64.04 -20.95 66.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.32 -52.42 10.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 104' ' ' ILE . 39.5 pt -59.83 -46.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.2 p -64.85 -42.52 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 18.8 tttt -64.92 -35.91 82.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -64.46 -42.54 95.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.06 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 30' ' ' GLY . 10.4 tt -140.27 -62.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.64 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 106.0 32.23 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -169.53 92.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -140.92 -169.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -151.83 108.6 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.582 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.2 t -129.68 102.1 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.8 m120 -102.09 103.03 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.6 133.8 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.764 ' CG1' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -92.34 107.6 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 4' ' ' ILE . 14.1 mt -81.82 113.58 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' HB ' ' A' ' 44' ' ' ILE . 18.8 m -144.29 136.77 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 p -71.54 -165.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 44' ' ' ILE . 20.3 tt0 -73.17 -41.63 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -43.89 56.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.64 -37.59 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 39' ' ' VAL . 7.5 tt -80.33 -33.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -47.93 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.83 -34.45 45.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.5 -53.0 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.87 -44.84 78.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' OE1' ' CA ' ' A' ' 54' ' ' GLN . 5.5 mm-40 -50.31 -32.2 16.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -53.65 -28.08 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -119.61 -47.69 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -69.69 -30.24 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.76 3.56 55.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CA ' ' OE1' ' A' ' 49' ' ' GLN . 17.6 pt20 -138.34 161.22 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.28 104.23 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 5.7 mmm180 -142.17 104.63 5.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.819 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -167.53 171.4 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -74.68 -47.55 31.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.7 p -155.56 131.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.787 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.37 138.79 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 t -106.91 139.84 40.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 4.8 t80 -80.15 142.1 54.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.4 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.661 ' H ' HG13 ' A' ' 70' ' ' VAL . 42.0 p90 37.9 29.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.676 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.17 -111.31 2.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 4.5 pt-20 -146.42 160.63 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.56 132.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 37' ' ' ILE . 46.8 m-85 -83.08 119.02 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 99' ' ' VAL . 33.1 t -112.79 146.24 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.5 ' SG ' HD13 ' A' ' 44' ' ' ILE . 5.1 p -145.28 96.35 4.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.824 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.98 0.07 9.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.38 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 58' ' ' THR . 3.2 mp -76.07 -35.36 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 77' ' ' CYS . 86.0 t -54.12 -52.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.6 -49.47 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -35.99 71.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 80' ' ' ILE . 19.2 m120 -77.92 -30.83 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.985 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -76.72 -36.33 57.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 -26.73 48.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.59 -24.92 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -135.06 -75.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER 169.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.985 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.4 t30 -89.03 134.8 33.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.7 p -73.75 97.93 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -40.69 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 97' ' ' LEU . 13.8 pt-20 -59.23 -53.48 57.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 4.1 ttpt -63.59 -52.22 61.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.98 -30.43 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.961 HD22 HD21 ' A' ' 13' ' ' LEU . 5.6 tt -81.6 -41.43 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.806 HD23 ' HB ' ' A' ' 133' ' ' VAL . 1.6 mp -53.86 -29.23 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 102' ' ' HIS . 76.6 mt-10 -63.98 -52.52 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 96' ' ' LEU . 27.5 m -62.05 -25.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.519 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.3 t -75.92 -57.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.8 ' CD1' HG23 ' A' ' 130' ' ' VAL . 18.5 pt -70.8 -16.47 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 98' ' ' GLU . 68.4 t60 -51.93 -30.18 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.64 -49.81 5.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 60.3 mt -66.54 -52.64 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.849 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.13 -32.63 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.674 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -59.4 -57.45 12.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -11.39 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -65.8 -22.42 66.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.529 0.204 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.78 -54.39 27.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -61.21 -24.37 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' HG3' HD11 ' A' ' 101' ' ' ILE . 1.8 tt0 -81.3 -34.79 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -18.63 51.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.99 -53.38 17.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 101' ' ' ILE . 2.9 m-85 -72.91 -37.34 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.7 t -55.26 -55.34 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.13 -31.0 70.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -54.36 8.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.806 ' HB ' HD23 ' A' ' 97' ' ' LEU . 42.8 t -68.91 -27.13 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.502 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.4 t90 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.94 -26.7 11.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.66 -58.49 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.8 m95 -58.57 -21.14 52.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.5 mmm180 -56.39 -29.32 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -4.51 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -141.88 63.87 16.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.3 Cg_endo -75.01 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.9 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 146.54 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.53 157.02 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 HG13 ' A' ' 37' ' ' ILE . 8.7 mt -130.9 157.97 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.4 -129.95 33.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -163.64 161.53 23.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 144.83 139.75 3.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -38.85 104.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.603 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.38 -27.77 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 3.9 t -60.49 -53.52 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.42 63.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.012 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.1 -30.06 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.775 ' CD2' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.05 -50.71 12.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -51.55 -20.72 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -73.6 -44.85 56.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.794 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -114.28 42.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -54.03 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.14 -35.66 79.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.25 -35.92 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.633 HD23 HG21 ' A' ' 133' ' ' VAL . 8.7 mt -80.13 -28.61 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.4 mt-10 -64.56 -19.48 65.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -77.07 -54.02 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -51.71 -46.97 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.654 HG13 HD13 ' A' ' 104' ' ' ILE . 22.7 m -61.42 -43.99 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -67.92 -27.81 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 6.7 tttp -70.39 -43.78 69.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' C ' HG22 ' A' ' 29' ' ' ILE . 1.4 tm-20 -96.78 13.61 27.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 ' C ' ' A' ' 28' ' ' GLU . 8.4 tp 44.13 55.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.86 -59.81 2.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 49.5 80.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 107' ' ' LEU . 4.9 m -148.27 -161.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -138.1 115.33 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.3 t -106.01 101.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -95.62 99.9 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.1 m -87.39 141.65 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.1 mp -104.64 108.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HG13 ' A' ' 39' ' ' VAL . 8.2 mt -80.67 118.09 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 44' ' ' ILE . 13.9 m -152.33 140.26 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 33.3 p -73.91 -164.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' HA ' HD11 ' A' ' 80' ' ' ILE . 50.0 tt0 -73.02 -43.26 62.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -27.69 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HB2' ' N ' ' A' ' 40' ' ' SER . 45.1 mt-10 -74.83 -42.59 57.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.687 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.0 tp -76.44 -30.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.07 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.26 -46.28 20.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 2.6 tm? -49.63 -53.38 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 5.0 t-20 -56.07 -27.29 52.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -24.82 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.4 -22.02 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -129.87 -53.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 6.2 tpt85 -71.23 -24.15 62.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.28 13.22 35.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.06 140.75 46.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.13 95.32 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.56 128.55 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.653 ' CG2' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -144.39 13.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.5 m-20 76.32 -52.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.3 p -154.87 130.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.653 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.39 133.34 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 t -115.3 149.99 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -85.02 145.67 43.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 11.4 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.622 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 6.9 p90 31.84 37.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -122.32 -138.89 5.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.869 ' HB2' HD11 ' A' ' 37' ' ' ILE . 4.6 pt-20 -129.7 159.1 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.493 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 12.1 tt -149.35 117.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 60' ' ' VAL . 85.2 m-85 -76.56 134.51 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 47.7 t -125.1 149.46 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 93.5 7.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.413 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 1.81 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -57.22 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -70.54 -41.66 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 92.3 t -53.37 -53.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 10.7 tt0 -56.02 -45.05 79.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -54.71 -44.3 73.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.51 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.09 -26.89 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 10.9 mtt180 -72.0 -39.68 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.6 -9.65 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -128.99 14.44 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 38.83 36.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -73.96 171.9 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.51 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 18.0 m -86.37 97.36 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -50.12 -36.68 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 1.1 mp0 -66.48 -46.88 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.4 OUTLIER -64.87 -47.98 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.8 -43.53 69.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.819 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.55 -34.45 65.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.735 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -59.71 -30.45 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' HIS . 27.6 mt-10 -60.56 -56.72 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 2.9 m -61.46 -24.21 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.775 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -68.92 -52.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 130' ' ' VAL . 49.5 pt -80.69 -16.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.493 ' CD2' ' CD1' ' A' ' 74' ' ' ILE . 12.9 t60 -51.42 -28.73 13.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.89 -51.14 4.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.759 ' O ' HD23 ' A' ' 107' ' ' LEU . 81.4 mt -68.98 -54.93 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.837 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.7 -24.19 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.4 t-160 -58.46 -67.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.54 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.77 -19.76 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -56.66 -22.45 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.981 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.0 t80 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.458 0.171 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.95 -54.26 28.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.472 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 5.0 mtmm -55.94 -24.36 37.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.745 ' HB2' HD22 ' A' ' 105' ' ' LEU . 15.0 tt0 -75.92 -38.9 57.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -67.94 -34.81 77.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -53.18 -50.9 63.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 2.7 m-85 -72.76 -45.12 60.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.46 -45.6 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.1 mt-10 -67.38 -42.2 83.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.51 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.735 HG12 HD21 ' A' ' 97' ' ' LEU . 92.2 t -71.85 -39.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.9 t90 -75.95 -13.19 60.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.25 -33.31 23.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.58 -54.02 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.794 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.2 m95 -56.89 -20.14 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.31 -35.32 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -15.74 19.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.76 83.4 14.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -146.26 148.21 32.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.91 149.63 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 37' ' ' ILE . 17.9 mt -129.38 163.06 26.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 54.13 -133.26 45.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.4 156.94 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.81 136.98 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -38.27 104.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.93 -28.34 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.84 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -43.39 81.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.076 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -49.64 -33.71 16.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.0 -47.75 23.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.18 -24.66 7.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -68.87 -47.86 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.34 41.26 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -47.85 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.82 -34.38 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.76 -35.99 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.664 HD23 HG21 ' A' ' 133' ' ' VAL . 4.5 mt -79.42 -27.53 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.59 -19.81 65.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -53.24 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.6 pt -51.41 -45.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.66 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -67.17 -48.51 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 25' ' ' VAL . 1.4 tppt? -57.17 -41.48 79.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -60.07 -48.89 79.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.01 -61.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 30' ' ' GLY . 7.1 tp -147.95 -57.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.482 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 90.37 54.77 2.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -169.61 66.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 107' ' ' LEU . 7.5 p -136.07 160.57 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.412 ' N ' HG22 ' A' ' 32' ' ' VAL . 5.1 m-70 -127.25 101.72 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG11 ' HA3' ' A' ' 103' ' ' GLY . 14.2 t -120.21 105.36 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -99.27 138.9 35.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.768 ' C ' HD13 ' A' ' 37' ' ' ILE . 2.8 t -108.72 137.57 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.822 ' N ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -99.63 106.37 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.2 108.31 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.572 HG23 ' HB ' ' A' ' 44' ' ' ILE . 14.8 m -144.44 137.21 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 2.2 p -67.67 -163.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 80' ' ' ILE . 22.8 tt0 -71.81 -49.79 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -35.29 74.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 mt-10 -60.94 -37.47 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.9 OUTLIER -83.29 -30.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -48.39 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 6.0 mt-10 -80.64 -49.13 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.47 -35.31 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 10.4 t-20 -57.46 -55.04 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 7.9 pt20 -69.51 -27.31 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -56.41 -20.9 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.7 m-85 -129.82 -51.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ASN . 19.9 mmt85 -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.6 -1.27 62.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.12 152.67 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -102.35 100.69 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -172.89 126.49 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 174.29 13.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.644 ' CG2' HD12 ' A' ' 61' ' ' LEU . 3.6 t -166.14 170.86 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -69.16 -59.01 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.3 p -145.39 136.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.644 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -96.46 129.4 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 m -101.93 130.35 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 12.1 t80 -83.58 141.92 42.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.6 p90 -163.23 45.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.67 -113.32 2.44 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -157.7 160.19 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -137.17 139.99 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.859 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.0 m-85 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.716 HG11 HG21 ' A' ' 99' ' ' VAL . 44.2 t -130.33 151.03 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.85 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.9 m -145.87 101.08 4.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.51 -53.59 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.874 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.7 mp -75.05 -39.42 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 77' ' ' CYS . 62.1 t -53.56 -49.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 15.8 mt-10 -68.87 -48.15 64.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -44.27 73.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -37.73 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -67.07 -28.47 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtm180 -67.21 -35.5 79.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -84.68 -21.87 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.3 t80 -112.04 15.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.2 t-20 39.56 30.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' PHE . 14.2 t30 -75.82 158.4 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' HG2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -82.52 97.9 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -52.59 -24.83 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.802 ' HG2' HG22 ' A' ' 91' ' ' THR . 10.5 pt-20 -73.91 -50.41 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 32.5 ttpt -66.37 -42.99 87.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.527 ' CD ' HG13 ' A' ' 81' ' ' VAL . 8.7 tt0 -54.71 -43.21 72.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.831 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.1 tt -74.18 -42.5 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -51.35 -32.4 25.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' HIS . 24.3 mt-10 -62.27 -52.84 62.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 96' ' ' LEU . 10.6 m -63.18 -25.68 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.725 HG23 HD23 ' A' ' 96' ' ' LEU . 44.6 t -71.05 -56.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 130' ' ' VAL . 20.3 pt -75.75 -15.44 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' GLU . 67.0 t60 -51.08 -33.12 24.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 34' ' ' VAL . . . -79.58 -52.83 4.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.66 HG23 HG12 ' A' ' 25' ' ' VAL . 68.0 mt -61.95 -52.67 57.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.54 -36.28 22.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.43 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -60.16 -47.45 85.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -79.36 -16.91 55.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -66.96 -26.56 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -46.15 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -28.75 66.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 101' ' ' ILE . 23.8 tt0 -80.59 -34.31 35.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -17.43 54.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -67.18 -59.79 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.592 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.3 m-85 -67.53 -36.73 81.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.816 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.04 -56.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.9 tt0 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -48.93 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 21' ' ' LEU . 93.0 t -71.1 -35.26 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.5 t90 -71.3 -13.67 61.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.53 6.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.38 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.73 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.0 m95 -56.37 -21.34 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -52.44 -23.61 6.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 m -75.6 -1.47 24.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.85 81.05 12.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 124.1 42.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.24 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -90.06 145.96 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.73 -148.11 17.97 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.105 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -162.47 168.58 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.86 159.32 8.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -39.54 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.728 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 153.02 -37.33 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 54.3 p -54.98 -53.97 48.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.58 -42.82 99.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.848 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.4 -32.71 62.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.5 -53.51 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.21 -20.03 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -71.52 -37.49 71.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.725 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -127.9 38.88 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -54.28 27.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -20.6 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -62.8 -37.32 86.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 14' ' ' LEU . 16.1 mt -80.54 -34.69 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 25' ' ' VAL . 19.9 mt-10 -54.64 -20.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.16 -52.2 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.738 HG21 ' CD1' ' A' ' 129' ' ' TYR . 11.0 pt -71.45 -26.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.11 -42.55 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -52.59 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -51.54 -45.62 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.49 -61.06 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' H ' ' A' ' 31' ' ' ASP . 5.0 tt -145.69 -53.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.04 -27.2 0.34 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' H ' HG23 ' A' ' 29' ' ' ILE . 13.7 t0 -161.61 130.19 4.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.687 ' CG2' HG22 ' A' ' 25' ' ' VAL . 13.5 t -129.5 159.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.67 110.01 17.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 74' ' ' ILE . 1.3 t -134.84 104.23 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -84.71 126.79 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.07 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.5 mp -94.32 108.09 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 13.2 mt -84.15 111.28 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.873 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.4 m -137.02 131.71 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 11.1 p -69.18 -164.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.72 ' HA ' HD11 ' A' ' 80' ' ' ILE . 17.2 tt0 -70.39 -48.49 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.25 -36.3 71.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' SER . 6.7 mm-40 -64.06 -39.72 94.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.1 tt -79.6 -34.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.54 43.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.1 mt-10 -79.46 -48.94 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.9 tm? -44.71 -42.42 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 6.6 t-20 -57.82 -41.39 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.4 tt0 -79.67 -25.99 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -57.11 -23.96 50.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.04 -50.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -70.22 -19.09 63.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.29 6.18 56.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -110.91 144.06 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -99.47 95.65 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 3.5 ppt_? -174.23 130.04 0.48 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.61 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.3 t -152.87 171.41 18.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 29.7 m-20 -61.76 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 76' ' ' VAL . 12.1 p -146.19 138.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.61 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.67 130.74 46.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.5 m -112.77 148.32 35.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 0.1 OUTLIER -78.83 146.81 69.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 18.3 p90 33.27 36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.713 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -115.56 -134.18 5.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.7 pt-20 -127.25 151.59 48.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.688 HD13 ' N ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -131.31 118.23 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 1.07 ' CD1' HD13 ' A' ' 37' ' ' ILE . 65.1 m-85 -85.29 126.45 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.626 HG21 ' CG2' ' A' ' 99' ' ' VAL . 14.9 t -127.62 148.2 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.775 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.81 104.51 11.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.417 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 -6.37 17.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -73.74 -53.98 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.72 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -76.89 -39.67 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.0 t -56.7 -58.4 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.1 pt-20 -55.88 -46.18 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -52.52 -31.57 36.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 7.0 m120 -78.98 -49.93 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.07 -27.22 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 4.1 mtp-105 -66.88 -43.16 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.5 pt-20 -76.36 -17.64 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.7 t80 -115.77 13.21 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.2 t-20 41.22 28.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.699 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 47.7 t30 -81.53 150.39 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.873 HG22 ' HG2' ' A' ' 93' ' ' GLU . 2.3 m -69.69 96.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -43.1 -42.7 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.8 OUTLIER -56.43 -41.57 76.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.549 ' HZ3' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -65.58 -47.94 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.615 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt0 -57.14 -37.37 71.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.848 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -81.2 -29.91 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.734 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.4 -39.32 88.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' HIS . 9.0 mt-10 -58.75 -55.55 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 76' ' ' VAL . 19.4 m -58.13 -22.06 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 97' ' ' LEU . 2.2 t -77.5 -59.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.866 ' CD1' HG23 ' A' ' 130' ' ' VAL . 44.9 pt -71.27 -16.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -54.04 -48.29 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.29 -53.03 49.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 24' ' ' ILE . 47.9 mt -63.54 -42.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -49.03 -52.87 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 12.9 m80 -55.96 -38.29 70.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.96 9.06 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -77.53 -30.14 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.536 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.02 -61.2 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.22 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 105' ' ' LEU . 12.2 tt0 -73.25 -38.49 65.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -24.52 60.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -57.1 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CD1' HG21 ' A' ' 24' ' ' ILE . 12.2 m-85 -72.99 -43.82 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.866 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.22 -51.66 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.2 mm-40 -60.55 -26.0 66.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.57 -52.95 6.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.734 HG12 HD21 ' A' ' 97' ' ' LEU . 95.1 t -66.09 -49.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.861 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.4 t90 -65.49 -13.16 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.77 -31.66 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.8 -56.08 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 93' ' ' GLU . 6.9 m95 -56.41 -20.57 20.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.4 mmt85 -52.41 -30.62 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -14.57 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.74 65.76 47.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 141' ' ' PRO . 50.5 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 2.3 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.21 123.37 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.97 110.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 35' ' ' ASN . 1.1 pt? -125.62 163.21 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.48 -174.69 40.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.86 140.97 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.34 141.31 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -39.65 105.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.624 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.8 -35.19 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 45.1 t -55.44 -51.29 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.44 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.63 -32.05 12.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.16 -47.98 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.83 -19.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.49 -48.77 21.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -117.7 40.58 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.7 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.68 -58.02 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 2.1 mt-10 -57.91 -35.01 70.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.72 -40.44 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG21 ' A' ' 133' ' ' VAL . 6.5 mt -77.95 -28.87 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' HA ' HG12 ' A' ' 25' ' ' VAL . 5.5 mt-10 -65.94 -20.8 66.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.8 mt-10 -74.91 -52.95 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 104' ' ' ILE . 24.7 pt -54.21 -43.98 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 22' ' ' GLU . 8.8 p -73.28 -41.95 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 3.4 ttmt -53.5 -53.74 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -60.34 -49.79 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -44.8 -60.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.6 tp -138.97 -61.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 160.46 -62.14 0.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.78 147.03 42.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 107' ' ' LEU . 6.2 m -141.04 -158.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 71' ' ' TYR . 8.6 m-70 -141.44 97.69 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.1 t -123.69 102.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.654 ' HB3' HD21 ' A' ' 5' ' ' LEU . 8.3 m-80 -95.64 105.98 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.01 131.0 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.0 mp -114.29 107.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.7 mt -84.12 120.16 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.647 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.6 m -142.8 136.35 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -70.16 -164.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' H ' HD22 ' A' ' 79' ' ' LEU . 34.3 tt0 -73.58 -51.33 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.73 -32.35 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -31.2 69.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.647 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -88.85 -28.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -49.67 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.23 -49.77 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 75' ' ' TYR . 2.4 tm? -44.01 -36.79 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' ND2' HD11 ' A' ' 61' ' ' LEU . 5.3 t-20 -61.18 -50.6 72.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -71.68 -24.8 61.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -58.81 -19.42 41.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -129.93 -53.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.87 -0.22 72.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -105.01 147.21 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.79 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.3 97.87 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -169.23 130.89 1.07 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.78 15.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.552 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -166.2 171.86 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.64 -69.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 75' ' ' TYR . 1.4 p -136.63 135.47 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.492 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.65 126.31 40.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.427 HG23 HD12 ' A' ' 74' ' ' ILE . 63.8 m -104.07 141.13 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -77.71 128.92 78.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 91.0 t80 41.97 35.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -132.33 -136.59 3.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.911 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.3 pt-20 -135.6 120.21 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.804 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 37' ' ' ILE . 5.6 tt -104.92 142.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 37' ' ' ILE . 49.7 m-85 -103.66 129.72 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 99' ' ' VAL . 3.0 t -122.03 152.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 81' ' ' VAL . 42.6 t -138.98 99.37 8.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 0.03 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -71.32 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -75.53 -41.96 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 77' ' ' CYS . 61.8 t -53.34 -56.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 12.9 pt-20 -62.91 -47.47 83.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 9.4 tp10 -53.64 -36.56 62.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' ND2' HG22 ' A' ' 80' ' ' ILE . 12.3 m-80 -75.07 -35.94 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -72.52 -28.35 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -63.6 -34.39 77.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -84.8 -20.75 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -109.5 12.31 24.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 43.49 27.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 88' ' ' PHE . 50.0 t30 -79.59 156.84 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.6 p -70.91 98.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 1.3 t80 -50.77 -30.36 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.7 pt-20 -73.18 -41.62 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -66.03 -49.76 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.4 -42.13 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.912 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -74.0 -36.62 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -57.12 -29.44 63.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.6 mt-10 -62.51 -56.71 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 96' ' ' LEU . 25.9 m -60.24 -25.58 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 21' ' ' LEU . 25.2 t -69.71 -57.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.808 ' CD1' HG23 ' A' ' 130' ' ' VAL . 23.2 pt -74.55 -16.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.4 t-80 -50.7 -32.44 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.36 -49.59 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 108' ' ' ALA . 69.4 mt -65.63 -54.37 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.1 -27.1 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.568 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -66.43 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.563 ' CD1' HG11 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -70.43 -15.96 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -58.87 -17.74 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 63.8 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.479 0.181 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.14 -61.54 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 2.1 mttp -56.53 -29.41 61.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.535 ' O ' HD11 ' A' ' 101' ' ' ILE . 12.4 tt0 -76.06 -36.61 58.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -75.1 -17.4 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -59.34 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 18.0 m-85 -70.19 -37.55 75.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -54.47 -43.7 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 tt0 -60.25 -50.13 74.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -57.72 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 HD23 ' A' ' 21' ' ' LEU . 85.6 t -60.95 -47.89 91.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.3 t90 -64.74 -13.67 55.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.53 -26.18 9.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.22 -62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.736 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.2 m95 -56.3 -20.61 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.12 -32.28 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.6 m -73.26 -17.06 61.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 66.53 72.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.47 111.71 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.57 HG21 ' CB ' ' A' ' 11' ' ' SER . 8.1 mt -86.74 125.47 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -139.09 158.05 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.07 -137.49 13.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -169.96 140.73 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.23 140.49 3.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -40.77 106.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.65 -31.21 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.57 ' CB ' HG21 ' A' ' 4' ' ' ILE . 5.6 t -68.75 -46.91 67.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.048 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.36 73.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.879 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.28 -32.51 64.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.31 -52.38 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.3 -19.12 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -76.11 -49.36 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.25 37.91 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 2.7 pm0 -53.86 -30.43 45.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -65.82 -34.83 79.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 HG21 ' A' ' 133' ' ' VAL . 11.2 mt -80.42 -31.47 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -60.23 -22.84 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.52 -51.96 20.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.617 HG13 HG21 ' A' ' 104' ' ' ILE . 45.4 pt -66.75 -44.51 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -60.22 -43.66 93.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -68.93 -54.16 16.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -44.87 -44.35 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CG ' ' CD1' ' A' ' 107' ' ' LEU . 9.5 tp10 -53.37 -52.16 60.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.613 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.3 tp -145.48 -61.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 152.16 -55.2 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -120.03 120.25 35.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -135.5 -166.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 80.0 m-70 -156.25 110.93 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.1 t -125.37 111.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m-80 -95.4 122.76 38.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.7 t -113.91 128.77 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.956 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.6 mp -107.85 112.54 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.1 mt -85.24 113.43 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.862 ' CG2' HD12 ' A' ' 44' ' ' ILE . 17.4 m -138.56 138.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -75.68 -164.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' ILE . 28.9 tt0 -72.48 -52.23 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -27.05 62.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.41 -32.15 62.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.862 HD12 ' CG2' ' A' ' 39' ' ' VAL . 3.4 tt -87.12 -28.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.97 -48.63 32.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.02 -49.43 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -46.01 -30.16 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 8.0 t-20 -65.55 -56.83 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.1 pt20 -71.13 -23.6 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.91 -25.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.98 -50.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 15.7 mmt180 -71.36 -22.1 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 75.07 -1.43 55.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -98.02 134.74 40.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.64 98.55 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -174.31 133.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.437 ' CG2' HD12 ' A' ' 61' ' ' LEU . 4.2 t -160.86 168.31 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 22.1 m-20 -60.38 -68.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 76' ' ' VAL . 14.9 p -137.32 135.74 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.586 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.41 130.6 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.6 m -108.74 148.65 30.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -78.24 157.02 78.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG22 ' H ' ' A' ' 72' ' ' GLY . 3.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 81.5 t80 36.67 32.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.49 -145.29 7.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.946 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.7 pt-20 -121.83 120.44 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 19.1 tt -107.71 134.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.956 ' CD1' HD13 ' A' ' 37' ' ' ILE . 45.4 m-85 -96.68 139.6 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.059 HG11 HG21 ' A' ' 99' ' ' VAL . 31.1 t -133.98 152.04 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 24.7 p -142.99 104.23 5.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.97 4.2 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -74.65 -53.37 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.69 -37.78 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.9 t -59.85 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.2 pt-20 -58.96 -47.38 85.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -52.44 -32.8 41.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -79.52 -47.12 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -59.25 -27.96 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -61.07 -40.99 95.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -83.97 -21.29 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -105.5 13.27 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 37.77 32.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 53.5 t30 -86.04 156.26 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.1 p -80.16 97.5 6.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -44.46 -30.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.592 ' O ' HD12 ' A' ' 97' ' ' LEU . 5.6 pt-20 -60.65 -48.01 83.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.52 -44.78 77.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -57.26 -41.05 78.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -77.85 -37.15 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -56.4 -29.17 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 126' ' ' GLN . 23.9 mt-10 -66.2 -56.02 13.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.059 HG21 HG11 ' A' ' 76' ' ' VAL . 3.2 m -55.49 -23.46 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 21' ' ' LEU . 10.9 t -74.8 -58.16 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 130' ' ' VAL . 26.7 pt -68.77 -16.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' GLU . 1.7 t-160 -52.59 -38.25 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -44.8 9.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HG13 ' A' ' 24' ' ' ILE . 74.9 mt -66.2 -55.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -50.72 -36.03 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.443 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -54.12 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.19 -30.08 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -64.31 -28.27 69.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.4 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.461 0.172 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.64 -39.64 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -55.9 -56.23 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.442 ' NE2' ' OE1' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -61.71 -28.5 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -58.32 -61.65 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.585 ' HB2' HD12 ' A' ' 101' ' ' ILE . 24.3 m-85 -64.6 -38.21 90.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 101' ' ' ILE . 2.2 t -54.63 -55.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 -24.52 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -50.42 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.72 HG21 HD23 ' A' ' 21' ' ' LEU . 98.2 t -74.0 -43.07 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -68.02 -13.28 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.92 -26.37 8.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.35 -61.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.61 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.7 m95 -54.51 -22.66 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.07 -51.19 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.6 m -51.0 -21.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -123.31 76.05 52.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.3 mp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 117.58 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.462 HG21 ' HA ' ' A' ' 11' ' ' SER . 2.2 mt -108.76 116.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -133.19 163.84 28.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -169.42 32.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -139.48 136.73 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 139.91 139.82 3.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -38.41 112.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.471 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.56 -25.85 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 4' ' ' ILE . 28.2 t -67.92 -55.58 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -27.04 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 1.9 tp -67.78 -34.36 76.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.08 -44.41 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.67 -28.38 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 1.2 m-20 -60.86 -50.14 74.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.41 46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.77 -58.76 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -53.91 -28.84 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -40.69 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 100' ' ' VAL . 2.2 mt -80.49 -36.73 32.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.68 -21.01 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.7 mt-10 -74.88 -47.7 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 104' ' ' ILE . 41.1 pt -77.75 -26.7 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -67.63 -47.82 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 ttmt -64.96 -45.76 84.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -60.4 -43.36 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.72 ' OE1' HD12 ' A' ' 107' ' ' LEU . 1.2 tt0 -45.94 -55.32 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 30' ' ' GLY . 15.4 tt -147.61 -52.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 133.92 -41.91 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.71 104.71 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' C ' ' CD2' ' A' ' 33' ' ' HIS . 12.5 p -171.02 162.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 3.1 m-70 -152.86 135.05 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -106.26 133.98 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.46 ' CA ' HD21 ' A' ' 5' ' ' LEU . 2.1 m120 -99.9 107.31 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -100.81 129.36 51.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.858 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.2 mp -107.45 112.0 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD22 ' HA3' ' A' ' 10' ' ' GLY . 7.9 mt -78.95 119.73 22.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.666 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.9 m -151.14 136.25 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -74.19 -165.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HA ' HG22 ' A' ' 44' ' ' ILE . 18.6 tt0 -73.46 -41.57 63.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -30.21 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.34 -40.11 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.1 tt -77.16 -34.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -50.12 -46.89 54.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' GLN . 4.5 mt-10 -78.52 -48.75 14.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.48 -34.13 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.636 ' ND2' HD11 ' A' ' 61' ' ' LEU . 8.4 t-20 -66.07 -51.5 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.84 -24.65 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.2 mt-30 -57.19 -22.48 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.34 -51.21 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.34 -24.37 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.94 -2.29 75.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -106.05 145.06 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 1.3 t0 -102.83 94.26 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -175.43 137.11 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.63 28.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -144.4 13.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.5 t0 81.74 -50.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 76' ' ' VAL . 12.3 p -155.69 130.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.636 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -95.78 132.5 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -114.58 150.91 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -86.91 137.9 33.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD23 ' A' ' 107' ' ' LEU . 1.8 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.622 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 8.7 p90 32.77 37.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -100.93 -161.65 27.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 3.3 mt-10 -125.6 132.35 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -126.44 143.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.858 ' CD1' HD13 ' A' ' 37' ' ' ILE . 29.8 m-85 -103.49 139.86 38.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.099 HG11 HG21 ' A' ' 99' ' ' VAL . 14.9 t -130.88 146.88 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 80' ' ' ILE . 28.8 p -136.97 102.96 9.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.352 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.0 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -59.22 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.596 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.5 mp -68.12 -41.07 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 60.2 t -52.68 -44.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER -56.06 -52.73 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -36.72 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.53 -34.78 67.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.31 -28.17 47.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtt180 -68.77 -36.25 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.95 -19.09 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.48 8.06 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 52.55 20.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 1.024 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 41.2 t30 -80.61 138.7 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.901 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.57 104.63 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.581 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -60.11 -57.43 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.901 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -53.61 -43.43 68.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.2 tt0 -72.51 -22.47 61.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.045 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -74.64 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.846 HD13 ' CG1' ' A' ' 133' ' ' VAL . 1.3 pp -58.4 -28.62 65.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -55.83 -37.09 68.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.099 HG21 HG11 ' A' ' 76' ' ' VAL . 5.6 m -75.04 -26.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 21' ' ' LEU . 42.0 t -68.4 -57.41 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 130' ' ' VAL . 12.3 pt -62.05 -16.34 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 22.7 t-80 -51.17 -39.6 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.37 -52.7 4.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.464 HD13 HG13 ' A' ' 24' ' ' ILE . 97.3 mt -57.49 -55.21 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -51.75 -43.12 62.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -54.78 -61.22 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.533 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.846 HD23 HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -62.14 -22.64 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -60.29 -26.39 66.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.503 0.192 . . . . 0.0 111.021 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.62 -56.21 24.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.582 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 12.1 mttp -61.48 -31.74 71.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.86 -33.48 66.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -73.73 -28.11 61.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -58.93 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 29.0 m-85 -68.33 -41.97 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.912 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.76 -42.37 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.95 -35.4 80.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -47.38 47.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.846 ' CG1' HD13 ' A' ' 97' ' ' LEU . 71.6 t -71.27 -55.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 12.3 t90 -63.14 -14.86 53.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.5 -29.97 25.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -87.57 -55.9 3.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 15.9 m0 -59.49 -20.13 53.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -53.24 -28.54 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.4 m -78.51 -12.2 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.439 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -136.41 63.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -75.0 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.72 119.27 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -111.13 105.81 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -120.31 163.93 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.8 -152.65 22.55 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -157.5 146.76 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.09 136.14 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.8 106.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.6 -26.96 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -55.71 -54.41 44.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -42.99 81.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.72 -29.49 39.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.27 -49.62 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.48 -20.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.8 -50.81 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -111.87 41.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -40.38 41.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.93 -22.5 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -35.19 80.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.869 ' O ' HG22 ' A' ' 25' ' ' VAL . 3.0 mt -79.57 -27.59 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mt-10 -60.27 -18.87 52.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.67 -55.28 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 21' ' ' LEU . 17.2 pt -51.42 -50.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 m -56.79 -37.7 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -62.76 -49.99 72.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -53.01 -44.25 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' OE2' HG22 ' A' ' 29' ' ' ILE . 1.2 tm-20 -68.31 -61.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.595 HG22 ' OE2' ' A' ' 28' ' ' GLU . 12.5 tt -151.27 -53.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 106.09 -20.66 35.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.74 76.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 107' ' ' LEU . 1.8 p -137.83 173.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.492 ' H ' HG22 ' A' ' 32' ' ' VAL . 29.1 m-70 -153.57 107.46 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.547 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -110.84 105.5 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.857 ' HB3' HD21 ' A' ' 5' ' ' LEU . 4.0 m-20 -91.53 116.76 29.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.42 135.46 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.5 mp -112.71 107.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLU . 11.6 mt -80.25 120.4 24.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' HB ' ' A' ' 44' ' ' ILE . 19.9 m -143.85 139.86 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.697 ' O ' HG22 ' A' ' 44' ' ' ILE . 91.4 p -72.76 -167.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 44' ' ' ILE . 60.4 tt0 -74.78 -41.25 60.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.497 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.39 -28.97 61.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -80.55 -39.53 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt -72.13 -48.3 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 7.8 pttp -48.05 -48.06 33.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.55 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 2.4 mt-10 -73.92 -50.2 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -48.84 -43.17 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.3 t-20 -51.92 -39.66 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -82.45 -24.83 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.82 -22.07 61.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -129.03 -52.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 5.5 tpt180 -70.81 -25.61 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.07 -7.36 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -95.71 140.51 30.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -99.11 95.55 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -173.95 122.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.56 18.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 t -162.54 171.65 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.46 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.813 HG23 HG22 ' A' ' 76' ' ' VAL . 3.1 p -132.56 139.93 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD13 HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -100.72 130.64 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -105.59 135.82 46.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' H ' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -78.47 133.62 63.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 11.6 p90 -156.56 38.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.12 -137.38 9.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 6.9 pt-20 -131.17 114.18 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.3 pp -103.12 152.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.702 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.6 m-85 -112.4 135.37 53.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.858 HG11 HG21 ' A' ' 99' ' ' VAL . 55.0 t -127.31 154.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 80' ' ' ILE . 9.0 t -142.04 98.56 6.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -57.71 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.942 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -69.46 -41.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 89.9 t -52.8 -51.23 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 13.3 tt0 -62.76 -42.02 99.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.53 -49.23 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 80' ' ' ILE . 8.0 m120 -68.89 -28.47 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -76.97 -27.97 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.8 mtp180 -63.06 -52.0 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.04 -36.79 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ASN . 9.6 t80 -91.74 12.28 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.57 36.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 16.4 t30 -80.38 156.1 26.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.6 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 25.6 m -74.71 97.38 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -52.53 -28.24 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -72.35 -57.22 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB2' ' CE3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -58.32 -38.96 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -58.12 -52.09 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.91 -27.91 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 102' ' ' HIS . 11.8 mt-10 -66.48 -55.44 15.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.858 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 m -58.6 -26.84 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 96' ' ' LEU . 14.1 t -64.83 -57.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.864 ' CD1' HG23 ' A' ' 130' ' ' VAL . 42.2 pt -77.81 -15.81 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' GLU . 8.2 t60 -51.08 -28.62 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.24 -51.93 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 25' ' ' VAL . 49.2 mt -67.23 -54.4 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.734 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -48.23 -27.18 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 19.4 t-160 -69.19 -51.42 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.614 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 32' ' ' VAL . 2.6 pp -82.57 3.95 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -74.84 -26.66 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.483 0.182 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.3 -62.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.0 tt0 -77.28 -39.08 49.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -25.57 64.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -57.03 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.5 m-85 -73.01 -40.22 65.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -56.14 -42.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -40.66 71.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.534 HG12 HD22 ' A' ' 17' ' ' LEU . 57.1 t -78.72 -39.2 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.2 t90 -76.62 -13.53 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.2 -30.42 24.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.52 -57.92 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.56 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.2 m95 -56.02 -20.64 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.61 -35.42 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.0 m -59.3 -15.14 14.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -117.41 84.43 18.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -75.03 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 33.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 110.62 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mt -104.19 107.14 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -128.49 164.78 22.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 -42.99 3.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 60.37 145.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.53 163.44 11.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' PRO . 1.5 tttt -40.11 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 138.32 -26.97 2.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 38' ' ' LEU . 6.4 p -56.66 -49.77 74.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -30.2 65.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.017 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.61 -29.43 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.68 -50.88 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.05 -21.45 3.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.05 -45.72 55.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -113.12 36.45 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.83 -58.7 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 7.1 mt-10 -53.08 -40.66 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -54.92 -37.53 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 14' ' ' LEU . 7.1 mt -80.45 -30.42 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' HG12 ' A' ' 25' ' ' VAL . 16.8 mt-10 -65.88 -20.16 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.88 -52.35 10.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.009 HD12 HG21 ' A' ' 104' ' ' ILE . 16.5 pt -61.89 -41.37 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.1 -36.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -68.94 -53.03 23.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -55.74 -52.71 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -51.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG23 ' H ' ' A' ' 31' ' ' ASP . 12.5 tt -144.56 -53.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LYS . . . 153.03 -29.94 0.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' H ' HG23 ' A' ' 29' ' ' ILE . 10.2 t70 -168.39 130.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -137.45 -176.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.64 ' N ' HG13 ' A' ' 32' ' ' VAL . 25.8 m-70 -135.54 113.84 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.78 115.44 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 73' ' ' GLU . 12.1 m-20 -93.52 96.17 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.46 127.32 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.949 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.5 mp -109.42 107.52 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 11' ' ' SER . 13.7 mt -89.18 112.98 24.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 44' ' ' ILE . 30.3 m -136.95 141.98 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 22.6 p -68.35 -166.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.637 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.2 tt0 -74.04 -52.84 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.04 -27.05 67.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -73.78 -43.73 58.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.795 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.2 tt -76.67 -34.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.01 -44.99 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.8 -30.41 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.74 -56.31 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 12.7 pt20 -68.64 -23.52 64.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.98 -22.42 49.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HE2' HD11 ' A' ' 47' ' ' LEU . 36.8 m-85 -129.85 -54.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.61 -24.23 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 80.88 -11.94 38.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 52' ' ' ARG . 7.8 mp0 -87.09 145.17 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.33 95.14 6.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -173.87 128.86 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.1 15.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.597 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.3 t -155.19 176.2 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -70.69 -54.93 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.0 p -151.76 135.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.54 140.14 30.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 t -126.1 151.11 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CZ ' ' CD ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -82.34 142.98 47.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.1 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.72 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 49.11 16.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.862 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -90.1 -139.39 7.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.826 ' HB2' HD11 ' A' ' 37' ' ' ILE . 5.2 pt-20 -129.72 133.35 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 0.812 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.38 131.68 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CD1' HD13 ' A' ' 37' ' ' ILE . 10.3 m-85 -95.54 121.67 37.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.723 HG22 ' HB ' ' A' ' 99' ' ' VAL . 72.9 t -105.86 152.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' A' ' 80' ' ' ILE . 22.4 t -142.47 97.71 6.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.488 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.04 2.78 6.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -79.97 -55.44 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.677 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.8 mp -76.06 -26.47 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 77' ' ' CYS . 68.2 t -71.89 -56.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 11.2 pt-20 -53.36 -45.08 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 4.9 tp10 -59.41 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -79.65 -39.4 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -71.49 -32.21 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 5.0 mtp-105 -77.91 -32.24 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.33 -23.82 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -128.12 -78.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 4.7 t-20 165.67 43.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 56.0 t30 -90.48 150.86 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 p -71.36 97.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.5 t80 -46.14 -37.71 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 97' ' ' LEU . 3.1 pt-20 -58.13 -46.12 86.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -65.45 -46.12 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 tm-20 -56.35 -41.45 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.017 HD12 HD21 ' A' ' 13' ' ' LEU . 2.3 tm? -78.24 -29.57 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.715 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.59 -37.5 85.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 16.8 mt-10 -57.97 -58.74 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HB ' HG22 ' A' ' 76' ' ' VAL . 19.0 m -57.38 -24.27 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -74.05 -57.02 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.895 HD11 HG23 ' A' ' 130' ' ' VAL . 46.1 pt -70.87 -16.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.0 t60 -52.02 -34.28 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.484 ' O ' HD12 ' A' ' 107' ' ' LEU . . . -80.65 -33.69 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.009 HG21 HD12 ' A' ' 24' ' ' ILE . 33.5 mt -80.4 -56.35 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 106' ' ' HIS . 1.6 pp -48.82 -50.81 32.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.896 ' N ' HD12 ' A' ' 105' ' ' LEU . 23.5 t-160 -59.51 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 32' ' ' VAL . 2.4 mt -85.47 -25.04 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -59.62 -20.37 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.537 0.208 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.42 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -52.89 -39.74 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' A' ' 105' ' ' LEU . 6.8 tt0 -66.34 -37.78 86.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -72.79 -17.87 61.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -55.96 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.629 ' CD1' HG21 ' A' ' 24' ' ' ILE . 23.1 m-85 -72.67 -35.91 67.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -55.53 -51.27 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.0 mm-40 -69.34 -36.43 76.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -52.18 55.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.715 HG12 HD21 ' A' ' 97' ' ' LEU . 72.0 t -69.26 -34.76 64.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 11.2 t90 -78.86 -13.71 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.68 -30.34 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -51.96 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.637 ' CD1' HD23 ' A' ' 17' ' ' LEU . 3.3 m95 -60.13 -21.17 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 134' ' ' TRP . 3.6 ttp180 -54.86 -38.67 67.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.5 m -63.6 -13.62 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -130.64 70.3 82.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 121.63 26.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mt -109.4 106.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 37' ' ' ILE . 1.1 pt? -125.19 162.0 25.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.22 -166.92 38.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -142.21 140.44 32.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 150.05 132.06 1.97 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -39.02 108.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 161.51 -26.94 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t -56.47 -54.16 49.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -44.8 63.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 ' CH2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -52.04 -28.78 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -77.55 -45.44 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.31 -20.27 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -73.81 -49.29 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.582 HD21 ' CE3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.6 38.15 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.55 -56.57 5.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.2 pt-20 -60.89 -29.76 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -55.11 -42.34 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -77.07 -28.48 54.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.8 mt-10 -67.23 -18.73 65.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.7 mt-10 -76.91 -52.68 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.3 pt -52.71 -44.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -70.23 -48.79 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' VAL . 2.6 tppp? -56.05 -42.0 75.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -66.98 -61.02 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' GLY . 6.6 tp -147.05 -53.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 89.09 48.54 3.79 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.43 57.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 33' ' ' HIS . 10.4 p -123.45 166.15 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 24.0 m-70 -140.07 102.25 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.27 115.13 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 5' ' ' LEU . 3.0 m120 -95.07 124.19 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.913 ' C ' HD13 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -102.17 138.03 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -110.82 107.91 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 23.1 mt -81.09 109.23 15.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 44' ' ' ILE . 31.8 m -142.01 141.15 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 0.5 OUTLIER -83.51 -169.59 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 80' ' ' ILE . 32.0 tt0 -67.55 -47.52 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.88 -29.16 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -36.38 54.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 39' ' ' VAL . 7.7 tt -80.7 -29.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -44.55 61.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.77 -49.86 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 75' ' ' TYR . 1.9 tm? -45.59 -36.75 4.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -70.19 -43.9 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 52.1 mt-30 -70.66 -24.02 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.73 -23.03 49.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -130.29 -53.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -74.37 -17.62 60.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.75 19.38 9.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 15.2 mt-30 -114.29 144.84 42.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.44 94.27 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -175.62 128.39 0.38 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.09 32.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -142.86 12.43 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.6 m-20 73.34 -54.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 99' ' ' VAL . 14.1 p -143.13 128.06 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -95.84 140.5 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 m -115.35 146.1 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.48 138.24 41.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.64 HG13 ' H ' ' A' ' 71' ' ' TYR . 2.6 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.64 ' H ' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 40.51 34.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -114.79 -152.38 10.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.879 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.9 pt-20 -123.62 124.13 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 20.4 tt -107.18 125.25 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 37' ' ' ILE . 29.2 m-85 -84.7 131.14 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 99' ' ' VAL . 2.1 t -121.69 154.55 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.796 ' O ' HG23 ' A' ' 81' ' ' VAL . 44.8 t -149.98 105.65 3.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 108.297 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB3' HD13 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.05 -2.16 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -68.52 -40.05 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 77' ' ' CYS . 63.8 t -52.86 -49.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.05 -46.27 81.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -60.08 -39.47 86.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -41.55 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.36 -27.12 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -70.35 -53.21 17.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 1.8 pt-20 -72.72 -28.77 62.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -101.96 9.75 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.3 t-20 39.86 30.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.775 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 7.0 t30 -85.71 165.94 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -94.6 97.28 10.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.459 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -49.31 -38.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.665 ' CB ' ' CE2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.44 -50.86 70.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.6 ' HG3' ' CE3' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -70.64 -47.17 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 99' ' ' VAL . 2.1 tt0 -53.0 -22.52 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.086 ' O ' HG22 ' A' ' 99' ' ' VAL . 2.8 tp -86.09 -58.56 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.1 pp -56.48 -26.6 54.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -68.51 -33.88 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.086 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -66.49 -24.03 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.813 HG11 HD13 ' A' ' 21' ' ' LEU . 34.5 t -73.92 -57.51 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.625 ' CD1' HG23 ' A' ' 130' ' ' VAL . 19.6 pt -58.74 -16.83 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -51.73 -43.88 63.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.25 -50.85 5.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.629 HG23 HG12 ' A' ' 25' ' ' VAL . 86.1 mt -55.57 -53.86 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -55.25 -35.72 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.359 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -51.46 -38.01 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.558 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -26.13 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.94 -18.2 31.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.4 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.481 0.181 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.13 -36.73 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -52.56 -42.05 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 17.0 tt0 -54.48 -44.2 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -68.57 -20.92 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 125' ' ' LYS . 4.8 tttp -57.17 -58.96 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 7.4 m-85 -73.24 -34.75 66.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.625 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -59.64 -38.59 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.68 -46.68 86.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -51.73 53.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.919 ' CG1' HD13 ' A' ' 97' ' ' LEU . 52.4 t -62.02 -37.64 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 8.3 t90 -75.38 -12.77 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.53 -37.68 41.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 5.8 tt0 -87.56 -58.14 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.996 ' CH2' HD21 ' A' ' 13' ' ' LEU . 1.9 t90 -53.92 -21.2 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.033 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.568 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.92 -29.76 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.405 ' C ' ' HD3' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -64.31 -9.54 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.46 69.77 79.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 177.8 8.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' PRO . 14.0 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.405 HD11 ' HG2' ' A' ' 22' ' ' GLU . 4.0 mp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 133.78 51.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.785 HD11 HG12 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -111.19 162.49 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.94 -150.32 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.47 148.77 12.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.85 147.2 4.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.67 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 160.57 -34.61 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 90.7 p -55.51 -52.82 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -43.45 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -50.7 -35.63 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.22 -52.82 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 18' ' ' LYS . 13.7 mt-10 -51.84 -20.44 2.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -74.55 -49.04 23.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.87 39.08 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -70.86 -52.49 19.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.83 -25.31 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.676 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -64.61 -40.66 95.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 mt -79.59 -28.02 41.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 4.9 mt-10 -63.33 -17.11 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.37 -54.43 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.7 pt -51.79 -47.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 m -62.79 -33.33 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.11 -49.96 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -36.94 85.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' HD12 ' A' ' 107' ' ' LEU . 33.6 tp10 -67.31 -61.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.9 tt -148.9 -60.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 141.16 -86.91 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -80.71 97.8 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 HG11 ' A' ' 25' ' ' VAL . 31.4 m -108.92 -169.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -150.52 98.78 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.58 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.9 t -117.61 104.15 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.736 ' OD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-80 -93.96 107.92 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.1 t -98.03 138.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.867 HD13 ' CD1' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -114.17 110.43 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 9.5 mt -89.19 119.87 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.6 m -145.65 139.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 44' ' ' ILE . 1.4 m -72.4 -167.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 31.1 tt0 -73.45 -49.09 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.6 -41.44 31.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.794 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.3 tt -74.6 -33.35 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -43.69 43.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.32 -48.74 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.2 tm? -46.28 -28.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.458 ' ND2' HD11 ' A' ' 61' ' ' LEU . 6.5 t-20 -74.73 -52.86 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 44.8 mt-30 -60.63 -24.68 65.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -52.77 -33.03 46.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -127.5 -49.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -71.19 -17.97 62.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.06 17.25 9.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 9.9 mt-30 -114.89 142.68 46.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.17 94.16 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 130.09 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.49 35.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.456 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -143.27 10.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER 77.66 -51.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.6 p -145.05 123.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.91 123.11 39.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -128.53 121.44 28.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -97.99 158.95 31.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.543 1.812 . . . . 0.0 110.94 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 70' ' ' VAL . 2.9 m-85 46.53 46.82 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 73' ' ' GLU . . . -117.31 -133.8 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 3.2 mt-10 -140.59 160.42 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 37' ' ' ILE . 12.4 tt -147.27 123.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.867 ' CD1' HD13 ' A' ' 37' ' ' ILE . 64.4 m-85 -83.68 129.74 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' CG2' ' A' ' 99' ' ' VAL . 2.7 t -123.31 151.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' SG ' HD12 ' A' ' 80' ' ' ILE . 44.2 t -142.6 100.3 5.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 1.43 7.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -60.5 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.464 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.1 mp -70.56 -43.77 77.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.3 t -52.67 -42.24 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.05 -52.3 63.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.42 -33.64 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.98 -37.29 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -67.15 -36.61 82.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.38 -20.88 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -112.27 13.02 20.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 40.1 30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' PHE . 43.1 t30 -76.43 171.68 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.552 HG21 ' CH2' ' A' ' 134' ' ' TRP . 1.2 p -86.76 98.31 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.2 t80 -48.55 -30.83 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -76.55 -38.11 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.61 -51.69 47.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 mm-40 -54.02 -42.94 69.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.918 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.07 -30.35 63.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' HIS . 64.0 mt-10 -58.41 -56.19 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 76' ' ' VAL . 34.9 m -59.22 -23.05 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -75.99 -57.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.851 ' CD1' HG23 ' A' ' 130' ' ' VAL . 47.3 pt -68.68 -18.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -55.86 -43.51 77.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.75 93.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.536 HD13 HG13 ' A' ' 25' ' ' VAL . 54.6 mt -69.39 -41.52 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -49.53 -39.58 34.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -54.17 -65.84 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.659 ' N ' HG11 ' A' ' 70' ' ' VAL . 4.5 pp -62.46 -29.22 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -58.18 -18.18 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 127' ' ' LYS . 18.2 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.47 0.176 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.13 -58.54 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -61.0 -25.46 66.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.454 ' HG3' HD11 ' A' ' 101' ' ' ILE . 13.1 tt0 -79.29 -32.49 43.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -78.56 -17.24 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 105' ' ' LEU . 6.0 m-85 -66.98 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -57.34 -53.66 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.4 mm-40 -64.09 -33.29 75.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -51.12 29.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.723 HG21 HD23 ' A' ' 21' ' ' LEU . 97.9 t -71.54 -33.4 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.2 t90 -77.82 -13.9 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.92 -24.64 8.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -87.09 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.529 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 6.1 m95 -55.86 -22.86 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -46.89 -42.33 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.3 m -51.92 -20.73 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.85 90.74 28.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -74.98 -161.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 141' ' ' PRO . 2.8 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.87 112.89 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.63 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.506 HD21 ' CB ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -119.26 165.23 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -166.24 30.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.44 137.97 22.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.35 145.71 4.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -39.0 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.63 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.02 -31.73 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -55.76 -53.53 55.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.48 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.951 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -48.7 -34.22 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -76.06 -48.22 21.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.02 -20.44 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -74.06 -51.41 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HG12 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -112.93 38.5 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.73 -59.31 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.68 -40.49 88.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.72 -30.05 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 133' ' ' VAL . 22.0 mt -81.62 -42.65 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 41.2 mt-10 -53.23 -20.71 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.1 mt-10 -68.37 -52.35 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CD1' HG21 ' A' ' 104' ' ' ILE . 16.0 pt -62.43 -39.42 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.714 HG23 HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.5 -45.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 10.4 tttm -67.96 -36.89 80.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.3 tttt -59.25 -52.55 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.464 ' HG2' ' CA ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -74.44 -55.96 5.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -173.92 104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -65.62 -160.04 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLY . 7.4 t70 39.14 63.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.684 ' HB ' HD13 ' A' ' 107' ' ' LEU . 12.0 m -106.92 -164.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CD2' ' HD1' ' A' ' 71' ' ' TYR . 35.3 m-70 -151.34 99.43 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 107' ' ' LEU . 3.4 t -125.03 103.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' CB ' HD21 ' A' ' 5' ' ' LEU . 2.6 m120 -96.3 104.03 15.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 74' ' ' ILE . 2.2 t -96.72 127.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.03 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.1 mp -108.73 110.4 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.3 mt -84.71 110.97 19.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.756 ' CG2' HD12 ' A' ' 44' ' ' ILE . 31.4 m -134.94 136.25 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.828 ' HB3' HD13 ' A' ' 79' ' ' LEU . 5.0 m -68.39 -164.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.1 tt0 -72.17 -50.61 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -39.83 81.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.51 -42.28 96.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.756 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.8 tt -76.44 -32.66 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -45.2 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 2.6 mt-10 -79.34 -48.53 13.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.2 tm? -45.33 -44.46 11.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ARG . 4.8 t-20 -59.87 -38.77 83.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mt-30 -77.96 -22.66 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.08 -28.0 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -128.02 -55.95 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 mpt_? -69.75 -13.59 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.64 28.23 37.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 12.0 pt20 -123.43 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.45 95.62 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.48 138.65 0.56 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.26 29.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.73 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.9 t -156.6 174.03 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -67.85 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.641 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.1 p -150.58 134.67 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.45 132.62 40.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 t -124.34 149.65 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 2.6 m-85 -80.94 142.44 52.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.778 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.6 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.665 ' H ' HG13 ' A' ' 70' ' ' VAL . 69.1 t80 46.83 23.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.778 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.02 -145.61 7.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.84 ' HB2' HD11 ' A' ' 37' ' ' ILE . 13.1 pt-20 -127.4 152.69 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 36' ' ' VAL . 1.9 pp -139.86 133.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 1.03 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.5 m-85 -97.47 124.72 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.641 HG22 ' CG2' ' A' ' 60' ' ' VAL . 2.5 t -117.47 149.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.668 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.2 p -137.52 101.88 8.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.828 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -71.47 -52.09 20.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.9 mp -75.26 -40.47 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 77' ' ' CYS . 99.0 t -52.62 -54.22 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -52.77 -48.38 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.1 -40.72 77.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 15.7 m120 -68.22 -34.76 76.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.53 -27.49 45.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.2 mtp180 -70.35 -30.06 66.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.8 pt-20 -80.8 -25.71 37.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -118.45 18.46 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.5 t-20 40.91 28.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.596 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 39.5 t30 -73.88 154.53 39.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.561 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -69.87 96.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 96' ' ' LEU . 2.3 t80 -45.06 -48.21 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -56.55 -48.72 76.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 2.1 ttpp -56.16 -53.16 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.9 -28.12 21.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.1 tt -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 93' ' ' GLU . 3.3 mp -48.71 -29.06 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.5 mt-10 -68.59 -55.49 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 96' ' ' LEU . 5.8 m -59.36 -23.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.567 HG23 HD23 ' A' ' 96' ' ' LEU . 77.9 t -77.92 -57.74 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 130' ' ' VAL . 3.2 pt -67.61 -16.75 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -52.77 -47.19 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.7 85.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 25' ' ' VAL . 60.0 mt -65.26 -48.53 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -51.39 -52.97 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -49.85 -34.77 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.632 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD13 ' HB ' ' A' ' 32' ' ' VAL . 2.5 mt -85.9 -24.66 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -72.19 -30.05 64.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.9 t80 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.506 0.193 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -65.25 -36.24 83.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -34.68 78.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.83 -30.73 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -78.51 -17.5 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -52.38 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.623 ' HB2' HD12 ' A' ' 101' ' ' ILE . 28.4 m-85 -71.64 -30.11 65.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -62.6 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.54 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.8 mt-10 -59.6 -46.01 90.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.63 -58.46 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 21' ' ' LEU . 75.2 t -65.98 -36.96 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.9 t90 -65.28 -13.14 57.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 107.985 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.64 -29.81 12.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.5 -58.71 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.67 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 8.0 m95 -54.64 -21.56 10.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 2.0 mmm180 -60.54 -17.41 45.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.3 m -79.53 -10.69 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 1.3 p30 -146.52 63.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -74.99 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.2 mp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.44 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -120.84 133.21 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.57 142.56 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.635 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -148.8 162.74 39.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.18 -166.82 46.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.3 mt-10 -134.01 143.52 48.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.03 129.51 1.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -39.81 105.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.814 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 164.69 -33.36 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -52.4 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -66.56 -38.42 87.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -54.3 -36.99 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.75 -49.68 50.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.37 -27.73 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 12' ' ' LYS . 11.2 m-20 -65.82 -44.49 85.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.715 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -114.63 38.43 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HG2' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -68.41 -58.04 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -30.01 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.97 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.2 mt -79.94 -32.71 40.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 5.3 mt-10 -60.43 -16.91 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.6 mt-10 -79.24 -54.15 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.3 pt -51.84 -51.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.5 -52.24 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -66.23 -25.22 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.57 -66.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -87.89 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.5 OUTLIER 179.64 121.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 1.035 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -102.51 -98.85 2.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 27.8 t70 40.78 40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 30' ' ' GLY . 33.0 m -125.32 -170.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 24.7 m-70 -152.18 106.64 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.612 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.34 108.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' HB3' HD21 ' A' ' 5' ' ' LEU . 4.8 m120 -91.37 116.52 28.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.2 t -101.91 128.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.4 mp -108.74 115.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 7' ' ' GLU . 8.6 mt -87.81 114.76 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 44' ' ' ILE . 32.9 m -136.91 137.59 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.526 ' HB2' HD13 ' A' ' 79' ' ' LEU . 52.6 p -78.69 -165.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.516 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -70.36 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -36.46 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.579 ' HB ' HG23 ' A' ' 39' ' ' VAL . 13.9 tt -81.75 -31.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -50.4 -47.73 56.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.81 -49.73 12.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.4 -26.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 7.3 t-20 -65.66 -54.62 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.29 -25.76 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -49.2 -27.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 6.7 m-85 -129.03 -45.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -71.46 -23.43 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.44 8.26 62.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 9.7 pt20 -114.36 143.14 45.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.729 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.17 97.83 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -173.68 119.49 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.35 22.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.654 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.7 t -156.81 173.49 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' OG1' ' A' ' 58' ' ' THR . 4.8 m-20 -66.81 -65.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 76' ' ' VAL . 4.3 p -134.87 135.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.41 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.3 127.29 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 t -95.42 137.81 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 73' ' ' GLU . 5.5 t80 -77.84 148.12 75.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -173.87 33.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.56 -137.54 9.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.942 ' HB2' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -136.27 114.37 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.802 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.823 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.4 tt -97.76 140.93 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.5 m-85 -103.83 133.83 48.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 99' ' ' VAL . 59.1 t -131.17 151.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.533 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.7 t -135.99 104.36 9.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.91 -52.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 58' ' ' THR . 2.8 mt -74.82 -43.54 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.3 t -52.6 -50.66 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.4 -51.95 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.22 -29.99 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.35 -48.67 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.632 ' HB2' ' OE1' ' A' ' 95' ' ' GLU . . . -63.51 -27.85 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -67.53 -38.79 84.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -80.94 -25.33 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -107.97 13.99 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.3 t-20 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.526 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 45.8 t30 -80.96 157.8 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.819 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.6 OUTLIER -71.95 98.44 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.1 t80 -47.48 -44.27 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.4 pm0 -62.4 -38.65 90.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -66.08 -47.68 73.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.632 ' OE1' ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt0 -57.12 -43.03 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.53 -31.04 63.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -62.43 -31.03 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 44.9 mt-10 -61.54 -56.7 17.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.868 HG21 HG11 ' A' ' 76' ' ' VAL . 4.2 m -61.88 -23.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.583 HG12 HD21 ' A' ' 21' ' ' LEU . 2.9 t -69.75 -57.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.781 ' CD1' HG23 ' A' ' 130' ' ' VAL . 36.9 pt -76.27 -16.37 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.727 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.3 t-80 -50.46 -28.05 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.35 6.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.545 ' CD1' HD11 ' A' ' 24' ' ' ILE . 76.5 mt -69.47 -44.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -48.93 -44.25 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.535 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.0 m-70 -53.78 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.855 ' HG ' HG11 ' A' ' 32' ' ' VAL . 1.9 tm? -55.54 -31.02 61.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -62.34 -30.25 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.534 0.207 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.05 -57.76 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -41.66 71.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HG3' HD11 ' A' ' 101' ' ' ILE . 16.3 tt0 -67.62 -37.52 82.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -69.19 -25.12 64.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.566 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.9 m-85 -73.39 -38.12 65.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -61.92 -42.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.89 -37.48 86.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -45.81 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 97' ' ' LEU . 94.3 t -72.39 -40.56 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 91' ' ' THR . 9.8 t90 -73.78 -13.65 60.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.01 -29.54 20.76 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.75 -59.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.715 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.9 m95 -54.67 -22.5 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 134' ' ' TRP . 8.2 mmm-85 -52.07 -34.81 45.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.4 m -69.9 -14.53 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.97 69.18 64.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -74.98 -87.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.617 HG21 ' HZ1' ' A' ' 18' ' ' LYS . 4.7 mp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.7 mtt-85 -96.69 114.62 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 mt -102.03 106.28 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -126.76 166.47 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.82 -170.05 33.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.46 132.68 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.14 141.79 3.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -38.96 115.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.73 -37.57 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 42.0 t -57.9 -54.11 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -72.23 -43.2 64.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.672 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 5.6 tp -50.17 -32.41 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.859 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -75.86 -45.21 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.61 -20.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -72.89 -48.83 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -126.79 47.13 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.859 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -75.22 -58.13 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -49.92 -27.66 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -43.59 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.89 HD13 HG11 ' A' ' 100' ' ' VAL . 1.2 mt -79.46 -28.74 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 36.4 mt-10 -63.8 -17.85 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.9 mt-10 -79.82 -53.61 6.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.0 pt -50.96 -49.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.14 -52.43 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -53.21 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -41.24 -61.61 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 30' ' ' GLY . 16.2 tt -151.69 -58.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 104.12 161.98 24.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 62.69 82.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -128.15 -178.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' HG13 ' A' ' 32' ' ' VAL . 13.9 m-70 -146.09 99.38 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.4 t -126.0 110.47 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.748 ' HB3' HD21 ' A' ' 5' ' ' LEU . 12.4 m-20 -99.08 116.96 32.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.2 126.65 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.797 HG21 ' CE2' ' A' ' 75' ' ' TYR . 5.3 mp -105.33 109.25 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 6.1 mt -77.47 123.75 26.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.5 m -146.96 142.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB2' HD13 ' A' ' 79' ' ' LEU . 70.6 p -76.12 -165.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.717 ' HA ' HD11 ' A' ' 80' ' ' ILE . 30.6 tt0 -73.72 -49.26 26.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 -28.2 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.42 -34.07 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -85.55 -25.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -46.63 78.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.84 -48.54 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -45.92 -30.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.5 t-20 -62.11 -54.4 41.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 6.7 pt20 -72.81 -29.17 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -45.43 -29.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -129.77 -45.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 4.9 tpt180 -70.23 -22.6 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 72.2 3.48 57.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -107.24 136.88 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.11 95.69 9.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.05 130.7 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 4.7 t -164.8 178.42 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' OG1' ' A' ' 58' ' ' THR . 5.7 m-20 -71.86 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 76' ' ' VAL . 4.5 p -135.01 136.69 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -96.47 131.08 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -122.16 143.33 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 73' ' ' GLU . 2.3 m-85 -79.37 168.58 25.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 71' ' ' TYR . 1.6 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 87.9 t80 36.06 39.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.5 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -136.03 -150.2 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -127.17 147.17 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.0 pt -138.46 151.67 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CE2' HG21 ' A' ' 37' ' ' ILE . 10.8 m-85 -110.52 131.86 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 99' ' ' VAL . 46.0 t -125.2 152.55 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.774 ' SG ' HD12 ' A' ' 80' ' ' ILE . 39.8 t -142.12 103.65 5.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 -0.19 9.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.82 -55.3 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.5 mp -72.04 -39.13 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 73.3 t -56.27 -45.85 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.58 -50.15 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -39.17 92.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 1.1 m-80 -66.72 -31.19 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.54 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -66.79 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.1 pt-20 -84.91 -17.89 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.0 9.67 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 48.98 23.44 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.441 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 35.1 t30 -78.32 157.16 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.3 p -82.21 97.55 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -43.91 -32.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . 8.8 pt-20 -63.46 -52.89 59.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.92 -31.33 72.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.02 -23.31 58.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -77.18 -58.76 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.801 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -56.96 -26.07 59.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -58.4 -47.05 85.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.07 HG21 HG11 ' A' ' 76' ' ' VAL . 4.5 m -64.72 -24.9 36.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.89 HG11 HD13 ' A' ' 21' ' ' LEU . 25.2 t -71.91 -55.06 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.959 HD11 HG23 ' A' ' 130' ' ' VAL . 5.9 pt -65.68 -17.19 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' HD23 ' A' ' 105' ' ' LEU . 2.6 t-80 -51.93 -40.13 60.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -47.81 7.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.486 HD13 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -60.85 -54.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -51.58 -39.81 58.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.415 ' ND1' HG23 ' A' ' 70' ' ' VAL . 7.6 t-160 -50.96 -61.38 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.61 -16.7 63.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -68.91 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.413 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 6.4 t80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.2 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.4 -61.1 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -54.97 -35.5 64.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.07 -37.96 84.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -17.34 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -57.11 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 7.0 m-85 -73.25 -37.79 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.959 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.98 -46.16 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -37.05 86.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.67 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.801 ' CG1' HD13 ' A' ' 97' ' ' LEU . 55.1 t -74.25 -54.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 10.9 t90 -59.68 -17.32 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.29 -22.71 15.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.49 -54.89 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.757 ' CD2' HD21 ' A' ' 17' ' ' LEU . 17.7 m0 -69.56 -20.65 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' TRP . 7.3 ttt180 -52.68 -31.04 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -11.11 38.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.2 99.37 24.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.88 15.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.026 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.58 138.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.58 135.33 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.622 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -144.39 163.4 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.35 -161.15 38.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -140.98 144.03 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.37 131.02 2.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.74 111.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 -35.48 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -58.31 -54.3 48.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.006 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -75.32 -42.89 53.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -50.32 -39.67 46.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -65.03 -42.78 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -50.99 -23.84 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 13' ' ' LEU . 87.6 m-20 -60.8 -43.91 97.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.722 ' H ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -121.36 44.52 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -50.52 46.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -23.9 67.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -40.98 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -80.58 -32.66 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -55.97 -21.55 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.257 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.32 -53.19 11.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.9 -42.22 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -59.96 -48.55 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -68.26 -50.42 53.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LYS . 2.9 ttmm -39.75 -60.77 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 107' ' ' LEU . 9.5 tt0 -47.29 -61.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.9 tt -156.7 -47.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 90.89 48.56 3.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -160.22 50.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.545 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 12.4 m -116.53 -176.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 9.7 m-70 -149.91 101.23 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.8 t -110.74 101.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.489 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 1.7 m-80 -103.46 104.04 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 1.2 m -85.46 151.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.3 mp -121.03 114.29 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 11' ' ' SER . 5.5 mt -86.2 120.47 27.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.697 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.4 m -145.32 138.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.3 m -72.16 -165.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 44' ' ' ILE . 30.4 tt0 -71.71 -45.78 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.49 -39.15 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.69 -38.79 92.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.697 ' HB ' HG23 ' A' ' 39' ' ' VAL . 5.5 tt -79.17 -33.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -51.41 -46.72 62.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 3.8 mt-10 -78.51 -49.63 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 tm? -45.6 -30.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -77.38 -51.67 10.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.5 mt-30 -57.14 -25.94 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -48.48 -35.78 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.96 -46.64 1.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -69.81 -22.04 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.6 16.57 11.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 7.5 mt-30 -115.98 141.72 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 4.1 t0 -96.21 94.32 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -175.42 132.76 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.27 33.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -139.5 8.52 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 4.4 m-20 77.84 -52.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 76' ' ' VAL . 3.0 p -144.06 124.83 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.9 132.36 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 135.73 53.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' CE1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -78.88 135.65 59.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.615 HG13 ' H ' ' A' ' 71' ' ' TYR . 3.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CA ' HD21 ' A' ' 107' ' ' LEU . 85.8 t80 35.08 39.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -125.16 -123.95 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.954 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -131.86 159.43 38.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 37' ' ' ILE . 12.2 tt -143.34 130.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 1.01 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.4 m-85 -92.26 135.46 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 60' ' ' VAL . 92.3 t -134.51 158.83 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 53.8 t -146.56 103.8 3.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB3' HD23 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -70.89 -51.19 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.4 -39.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 83.4 t -52.74 -53.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.53 -51.97 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.16 -38.95 68.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.75 -47.44 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.736 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.8 -27.1 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -67.94 -40.33 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 4.4 pt-20 -85.5 -28.82 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -103.16 12.36 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.1 t-20 38.8 30.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.736 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 10.3 t30 -79.53 155.64 28.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.033 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.1 p -72.9 97.86 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -52.17 -27.36 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mt-10 -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.36 -54.15 50.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.07 -21.36 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.5 tm? -84.28 -59.57 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.859 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -59.24 -27.51 65.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 94' ' ' LYS . 1.1 pp20? -58.44 -29.69 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 96' ' ' LEU . 2.6 m -78.56 -28.46 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 14' ' ' LEU . 41.2 t -67.21 -57.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 130' ' ' VAL . 12.5 pt -61.2 -20.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 1.6 t60 -53.32 -41.64 65.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.17 -51.04 5.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.5 mt -55.6 -54.0 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -50.69 -46.33 58.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 105' ' ' LEU . 7.4 t-160 -57.03 -34.8 68.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD21 ' CA ' ' A' ' 71' ' ' TYR . 3.0 mt -81.41 -19.61 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -56.3 -19.69 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.551 0.215 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -61.2 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.551 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -57.87 -26.91 62.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 10.5 tt0 -70.14 -32.09 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -19.0 57.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -53.04 41.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.551 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 13.2 m-85 -72.64 -32.44 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -63.12 -51.77 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -58.38 -24.76 60.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 2.3 mt-10 -82.93 -47.64 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.859 ' CG1' HD13 ' A' ' 97' ' ' LEU . 24.5 t -68.76 -52.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 1.033 ' CZ2' HG21 ' A' ' 91' ' ' THR . 13.8 t90 -61.93 -15.55 44.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.2 -25.81 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -86.35 -52.6 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.664 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 8.3 m0 -65.96 -19.32 65.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.003 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 134' ' ' TRP . 1.5 ttp180 -47.96 -40.11 21.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.6 m -55.7 -18.12 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.92 90.03 26.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.0 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.508 ' CB ' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.77 122.69 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.47 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 1.7 mt -109.81 124.46 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -148.97 165.54 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.48 -38.14 3.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.5 mt-10 59.97 148.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 137.76 156.5 7.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 9.6 tttt -38.48 104.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.27 -27.65 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.097 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' HD13 ' A' ' 38' ' ' LEU . 70.4 p -58.49 -54.08 51.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -35.33 80.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.033 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -60.39 -33.45 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -76.32 -51.71 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.02 -20.67 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.78 -49.89 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -112.89 41.71 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' CG ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.96 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -41.64 61.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.72 -33.56 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 100' ' ' VAL . 13.3 mt -80.32 -34.67 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 25' ' ' VAL . 51.5 mt-10 -60.29 -20.14 57.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.08 -52.38 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.47 -42.97 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.715 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.32 -30.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -53.96 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.07 78.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.15 -60.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tt -137.91 -53.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.21 -30.11 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.4 124.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -128.97 178.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.9 m-70 -131.57 103.62 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -121.96 104.5 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.788 ' HB3' HD21 ' A' ' 5' ' ' LEU . 5.2 m-20 -89.91 103.16 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.01 126.87 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.7 mp -106.46 106.74 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 11' ' ' SER . 12.5 mt -87.0 119.69 27.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.923 ' CG2' HD12 ' A' ' 44' ' ' ILE . 32.7 m -146.45 138.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.936 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.1 m -66.63 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 80' ' ' ILE . 27.4 tt0 -69.6 -51.17 37.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -39.95 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 40' ' ' SER . 20.2 mm-40 -59.26 -38.74 80.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.923 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -82.36 -33.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.18 -47.63 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.9 mt-10 -78.47 -45.21 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -43.85 -37.13 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t-20 -64.47 -49.72 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 9.6 tt0 -70.57 -23.71 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' GLU . 52.3 mt-30 -60.59 -21.88 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -129.85 -54.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -70.85 -24.75 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 49' ' ' GLN . . . 82.56 -11.97 49.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -85.91 145.59 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.2 95.28 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -173.51 131.62 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.6 t -154.63 172.64 17.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 81' ' ' VAL . 10.5 t0 -64.24 -56.85 11.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 76' ' ' VAL . 5.1 p -153.63 138.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -96.21 126.13 41.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -105.9 151.04 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -103.3 149.08 36.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.508 1.793 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG2' ' NE2' ' A' ' 106' ' ' HIS . 1.5 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.553 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 37.64 39.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -125.63 -157.34 9.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.907 ' HB2' HD11 ' A' ' 37' ' ' ILE . 16.8 pt-20 -139.27 123.92 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 8.6 tt -107.5 133.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD1' HD13 ' A' ' 37' ' ' ILE . 25.3 m-85 -96.57 141.02 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 99' ' ' VAL . 92.4 t -137.17 148.49 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.8 p -137.2 102.23 9.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.51 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 -1.34 11.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -73.65 -53.18 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 41' ' ' GLU . 3.3 mp -74.99 -40.0 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' CYS . 69.0 t -55.74 -54.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' ARG . 4.2 tt0 -52.69 -50.24 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.92 -44.12 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 18.2 m120 -64.44 -34.86 79.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -77.91 -28.24 49.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.7 mtp180 -70.36 -27.38 64.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.3 pt-20 -85.21 -25.8 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -117.96 20.49 13.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.77 31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 32.3 t30 -74.29 156.81 36.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 1.016 HG22 ' HG2' ' A' ' 93' ' ' GLU . 3.8 m -73.5 97.0 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.26 -40.24 67.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 1.016 ' HG2' HG22 ' A' ' 91' ' ' THR . 5.0 pt-20 -56.38 -55.64 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 9.6 ttpt -63.3 -36.92 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' OE1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -54.74 -40.72 69.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.6 tt -76.36 -43.78 39.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 93' ' ' GLU . 2.0 mp -50.2 -42.81 52.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 26.3 mt-10 -55.61 -48.48 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -63.94 -24.81 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 21' ' ' LEU . 65.0 t -78.23 -58.27 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 105' ' ' LEU . 37.3 pt -68.79 -17.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.472 ' CE1' HE22 ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.29 -23.92 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.37 -47.28 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.549 HG12 HG23 ' A' ' 25' ' ' VAL . 6.3 mt -79.85 -48.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -46.12 -50.69 15.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -63.42 -41.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.602 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 106' ' ' HIS . 1.1 mt -77.8 0.87 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -80.26 -6.11 57.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.0 t80 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.477 0.179 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -59.97 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -42.22 63.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.384 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.472 HE22 ' CE1' ' A' ' 102' ' ' HIS . 30.1 tt0 -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -30.36 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -57.37 6.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 9.5 m-85 -73.37 -37.72 65.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -56.42 -44.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.53 -41.68 83.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -44.11 97.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.746 HG12 HD22 ' A' ' 17' ' ' LEU . 96.0 t -76.64 -41.86 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.818 ' CZ2' HG21 ' A' ' 91' ' ' THR . 8.8 t90 -66.74 -13.58 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 107.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.5 -28.16 14.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -87.68 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.033 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -56.63 -20.82 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 108.047 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -47.66 -38.59 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.0 m -56.67 -17.56 9.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.46 86.85 39.95 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.0 -161.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -146.04 142.31 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.595 HG22 HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -117.28 146.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -149.07 163.34 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.21 -132.88 11.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 pt-20 -166.01 142.67 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.732 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 144.42 139.68 3.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -44.23 125.41 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.73 -30.78 1.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -56.89 -54.29 48.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.784 . . . . 0.0 109.981 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -43.97 91.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.083 ' CD2' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.27 -30.86 60.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.43 -52.45 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -52.26 -22.42 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.3 -51.27 18.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -103.74 32.86 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -70.42 -50.74 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.0 pt-20 -61.91 -35.28 77.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 11.2 tptt -60.67 -41.72 95.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.7 mt -75.84 -27.79 57.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.7 mt-10 -66.6 -19.78 65.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 1.9 mt-10 -78.37 -53.54 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 21' ' ' LEU . 18.9 pt -51.71 -49.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 21' ' ' LEU . 3.4 m -61.69 -43.5 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 19.9 tttm -58.29 -40.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -63.27 -52.03 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.31 -60.22 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.55 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.8 tt -143.76 -59.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 98.38 34.25 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -164.11 64.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.788 HG21 HD22 ' A' ' 107' ' ' LEU . 7.6 p -124.22 171.56 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -138.74 108.96 6.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.561 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.4 t -112.99 105.43 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' OD1' HD22 ' A' ' 5' ' ' LEU . 2.3 m-20 -95.21 104.19 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -91.22 129.79 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 1.016 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.0 mp -101.94 108.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 8' ' ' GLY . 22.7 mt -81.42 121.87 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.852 ' CG2' HD12 ' A' ' 44' ' ' ILE . 11.5 m -150.24 142.62 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.757 ' HB3' HD13 ' A' ' 79' ' ' LEU . 50.1 m -81.2 -170.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.62 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -67.84 -49.0 64.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -35.48 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.11 75.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.852 HD12 ' CG2' ' A' ' 39' ' ' VAL . 6.1 tt -84.86 -30.59 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -47.17 45.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.63 -43.52 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 1.5 tm? -50.64 -51.59 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 23.7 t-20 -59.58 -33.99 72.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 5.9 mt-30 -64.38 -25.59 68.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.09 -22.94 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.65 -49.89 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -31.72 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.88 -0.88 70.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 16.7 pt20 -133.34 167.86 19.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -86.59 100.87 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 4.9 mmm180 -143.08 104.14 5.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 61' ' ' LEU . 9.6 t -166.43 164.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.74 -48.91 72.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.635 HG11 HG12 ' A' ' 99' ' ' VAL . 1.5 p -155.97 137.36 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -97.21 127.99 43.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -117.53 144.1 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 2.7 m-30 -78.05 152.86 79.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 72' ' ' GLY . 16.7 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 85.9 t80 37.22 30.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -116.37 -124.21 3.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 37' ' ' ILE . 2.5 pm0 -142.78 153.12 42.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -137.85 129.57 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 1.016 ' CE2' HG21 ' A' ' 37' ' ' ILE . 25.4 m-85 -85.46 119.16 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.637 HG22 ' HB ' ' A' ' 99' ' ' VAL . 80.1 t -107.15 151.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 80' ' ' ILE . 51.0 t -149.04 93.72 4.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 3.86 5.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -70.43 -57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.567 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -74.8 -42.3 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 t -52.12 -55.96 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.9 -37.16 75.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.71 -36.54 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 43.1 m-80 -76.28 -39.97 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.714 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . . . -65.85 -25.57 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -64.55 -54.47 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -75.42 -38.22 59.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -88.91 9.09 26.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 38.53 31.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.63 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 40.1 t30 -75.23 156.28 35.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.764 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.11 97.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.368 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -53.6 -36.85 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.654 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.2 -40.54 94.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -71.63 -34.92 70.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.714 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 1.1 tt0 -62.04 -47.22 85.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.083 HD13 ' CD2' ' A' ' 13' ' ' LEU . 4.0 tt -72.92 -30.67 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.696 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -60.55 -27.7 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 102' ' ' HIS . 51.5 mt-10 -70.37 -58.03 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 76' ' ' VAL . 22.7 m -56.4 -23.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 96' ' ' LEU . 73.2 t -73.64 -58.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.777 ' CD1' HG23 ' A' ' 130' ' ' VAL . 29.4 pt -72.57 -16.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLU . 12.1 t-160 -50.65 -30.73 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.79 -50.52 5.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 77.2 mt -66.31 -54.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.37 -47.37 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.438 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.9 m170 -52.85 -28.41 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.788 HD22 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -88.2 -28.02 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.08 -17.05 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 127' ' ' LYS . 74.7 t80 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.531 0.205 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.88 -62.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.47 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -59.19 -33.45 70.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 18.8 tt0 -69.74 -38.06 76.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -71.91 -22.06 61.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.51 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.535 ' HB2' HD12 ' A' ' 101' ' ' ILE . 9.8 m-85 -73.01 -37.19 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.777 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -56.32 -40.72 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.06 -51.99 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -53.57 56.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.689 HG12 HD21 ' A' ' 97' ' ' LEU . 84.1 t -62.85 -43.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -66.81 -12.87 60.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 107.926 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.77 -32.21 25.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.49 -59.48 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.077 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.5 m95 -54.14 -21.32 8.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.3 OUTLIER -54.61 -32.32 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 m -71.11 -9.03 57.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -143.54 69.53 17.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PRO . . . . . 0.46 ' HA ' ' OE2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' N ' HD12 ' A' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.432 0.158 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.0 mp -105.65 141.08 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 124.76 38.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.92 127.98 66.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.524 HD11 ' CG1' ' A' ' 37' ' ' ILE . 1.1 pt? -141.54 162.91 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.24 -150.01 20.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -163.25 142.55 8.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 135.56 143.77 4.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.2 tttt -40.09 104.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.753 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 176.34 -44.13 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.465 ' HB2' HD11 ' A' ' 38' ' ' LEU . 11.8 t -64.57 -54.01 38.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -55.72 -37.18 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.878 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -72.64 -29.98 63.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.78 -52.52 11.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -52.06 -20.92 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -73.11 -50.35 23.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.81 37.58 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -68.03 -58.43 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 51.7 mt-10 -57.72 -30.18 65.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -57.88 -41.88 83.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 HG11 ' A' ' 100' ' ' VAL . 7.0 mt -76.36 -34.39 58.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HA ' HG12 ' A' ' 25' ' ' VAL . 23.9 mt-10 -58.91 -20.36 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.85 -52.68 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' HA ' ' A' ' 21' ' ' LEU . 42.8 pt -61.66 -45.5 98.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.3 p -63.15 -41.64 93.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -66.31 -38.98 88.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -57.68 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -44.02 -61.22 1.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' N ' ' A' ' 30' ' ' GLY . 16.8 tt -148.93 -58.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 101.08 49.35 1.35 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -166.22 56.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG21 ' CD2' ' A' ' 107' ' ' LEU . 25.5 t -124.79 163.09 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 32' ' ' VAL . 11.1 m-70 -142.75 103.17 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.85 113.1 41.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.7 m120 -93.68 110.96 22.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -97.11 135.02 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.9 mp -112.52 107.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 11' ' ' SER . 14.3 mt -79.7 119.29 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.2 m -144.42 135.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 p -72.11 -165.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 80' ' ' ILE . 19.8 tt0 -68.08 -52.71 32.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -67.45 -43.65 80.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.37 -39.8 70.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.642 HD13 ' SG ' ' A' ' 77' ' ' CYS . 7.1 tt -80.67 -32.9 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.18 -47.81 45.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.19 -49.89 11.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.2 tm? -45.14 -33.65 2.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.9 t-20 -65.68 -51.62 58.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.25 -23.19 55.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -129.76 -51.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -70.11 -24.01 63.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.05 9.13 70.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' NE2' ' HG2' ' A' ' 52' ' ' ARG . 1.9 pt20 -108.63 150.84 26.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -107.29 96.24 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.11 133.19 0.56 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 169.29 22.93 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.538 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.7 t -153.78 172.98 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.414 ' N ' ' OG1' ' A' ' 58' ' ' THR . 8.0 t0 -68.64 -54.78 14.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.615 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.6 p -154.69 137.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.55 128.1 42.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.2 m -108.21 147.87 30.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.2 129.65 50.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 109.0 2.85 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.746 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.5 pt? -170.22 130.85 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.84 86.71 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 68' ' ' GLU . 4.9 mt-10 -123.07 -177.65 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -38.24 -63.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB3' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -110.6 -76.53 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' O ' HD11 ' A' ' 65' ' ' LEU . 2.7 p -174.85 -60.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.645 ' H ' HG13 ' A' ' 70' ' ' VAL . 81.1 t80 41.15 36.22 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.582 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -113.44 -165.75 16.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.1 pt-20 -126.56 114.77 18.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -106.97 145.93 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.89 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.8 m-85 -108.36 142.0 39.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.69 HG11 HG21 ' A' ' 99' ' ' VAL . 75.5 t -131.0 155.34 41.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.642 ' SG ' HD13 ' A' ' 44' ' ' ILE . 4.7 p -142.21 101.38 5.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.281 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 1.44 7.74 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -73.66 -51.88 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 41' ' ' GLU . 5.3 mp -75.22 -36.77 37.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.709 HG13 ' HG2' ' A' ' 95' ' ' GLU . 96.6 t -59.43 -51.22 75.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.76 -41.11 90.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -53.43 -36.25 61.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.273 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 24.6 m-80 -78.64 -38.68 39.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -66.91 -26.54 66.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -54.06 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -78.22 -37.08 46.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 3.2 t80 -84.0 7.17 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER 38.38 37.68 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.527 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 46.4 t30 -87.12 160.01 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.414 ' HG1' ' HB3' ' A' ' 94' ' ' LYS . 29.4 p -87.29 98.57 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.62 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -42.22 -26.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 97' ' ' LEU . 8.8 pt-20 -63.74 -45.83 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' NZ ' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -69.55 -51.61 33.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.709 ' HG2' HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -53.13 -35.46 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.0 110.339 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.878 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.3 tm? -81.1 -38.24 27.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -57.42 -33.47 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 70.3 mt-10 -58.19 -55.74 31.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 96' ' ' LEU . 4.9 m -61.47 -27.02 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.824 HG11 HD11 ' A' ' 21' ' ' LEU . 44.1 t -68.72 -57.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.865 HD11 HG23 ' A' ' 130' ' ' VAL . 38.4 pt -74.18 -16.91 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.269 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 106' ' ' HIS . 13.3 t-80 -52.12 -28.6 18.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.596 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.18 6.82 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.0 mt -73.86 -53.92 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.731 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.19 -27.42 2.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' NE2' ' NE2' ' A' ' 102' ' ' HIS . 3.1 m170 -64.32 -65.24 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.595 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -76.53 -1.27 26.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' LEU . . . -66.78 -30.29 70.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 110' ' ' TYR . . . -142.82 -104.05 0.49 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.8 ' CE2' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -36.27 151.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.787 . . . . 0.0 111.023 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.38 95.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 1.0 OUTLIER 65.52 52.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.562 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -142.79 -74.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.8 ' CE1' ' CE2' ' A' ' 110' ' ' TYR . 0.1 OUTLIER 39.3 41.05 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -45.35 147.97 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ASN . 41.0 m-20 42.26 52.01 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.06 -76.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' ASP . 4.1 p-10 -142.36 161.43 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.0 t -122.45 176.74 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -59.51 -26.61 65.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -70.4 -48.83 54.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.55 ' HG2' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -64.13 -29.17 70.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -68.55 -57.14 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -39.95 83.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -26.29 67.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.497 ' CB ' HD22 ' A' ' 105' ' ' LEU . 27.5 tt0 -81.68 -34.32 30.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.55 -17.29 56.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -60.71 2.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 133' ' ' VAL . 19.8 m-85 -66.19 -31.94 73.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.865 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -59.35 -54.69 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.52 ' N ' HG12 ' A' ' 130' ' ' VAL . 7.8 pt-20 -67.65 -34.13 76.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.1 OUTLIER -68.36 -48.65 64.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.623 HG12 HD21 ' A' ' 97' ' ' LEU . 71.9 t -71.83 -37.45 61.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.575 ' HB2' HD22 ' A' ' 97' ' ' LEU . 11.5 t90 -74.47 -14.76 60.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 108.004 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.98 -23.98 13.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -87.28 -58.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.799 ' CH2' HD13 ' A' ' 13' ' ' LEU . 3.0 m0 -57.44 -21.34 36.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.058 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -33.5 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.7 m -65.29 -12.1 48.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.79 70.4 81.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 143' ' ' GLU . 18.3 Cg_endo -75.04 -179.34 4.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 m 68.8 -65.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 141' ' ' PRO . 2.0 mm-40 66.78 13.63 9.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.55 170.14 16.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.5 p -71.71 -66.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 28.9 t0 44.5 89.62 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 61.31 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -145.52 -83.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -47.63 135.11 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.539 0.209 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.26 133.22 67.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.05 127.51 52.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mt -107.99 108.52 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.731 HD11 HG12 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -128.11 159.26 35.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.14 -169.33 34.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.2 mt-10 -138.83 142.89 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 143.06 134.42 2.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 2.8 ttpt -39.82 112.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.764 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 158.48 -28.23 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.6 t -57.6 -48.9 78.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -33.39 69.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.029 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -63.94 -29.47 70.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.38 -53.32 8.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -52.36 -20.61 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -73.25 -37.21 66.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.015 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.6 OUTLIER -122.43 34.76 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -57.21 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -62.96 -24.44 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.653 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -59.28 -34.9 72.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.678 HD21 ' CG1' ' A' ' 100' ' ' VAL . 6.5 mt -79.75 -32.72 41.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -59.1 -22.81 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.5 -49.45 32.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.692 HD12 HG21 ' A' ' 104' ' ' ILE . 27.5 pt -71.63 -34.81 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG23 HG12 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -65.14 -49.67 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -69.06 -38.86 79.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -52.21 -58.29 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -69.05 -59.72 2.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 29' ' ' ILE . 5.1 tp -174.19 99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.12 70.65 0.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' ILE . 2.2 t70 -164.98 53.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 33' ' ' HIS . 5.3 p -133.76 178.02 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.681 ' H ' HG22 ' A' ' 32' ' ' VAL . 78.8 m-70 -150.15 104.36 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.18 114.95 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' HB3' HD22 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -107.83 137.29 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 5' ' ' LEU . 4.2 t -112.31 142.59 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.928 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.0 mp -116.52 107.13 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 8' ' ' GLY . 11.8 mt -79.02 116.29 19.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.833 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.0 m -142.6 136.69 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.519 ' OG ' ' N ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -76.66 -170.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.742 ' HA ' HD11 ' A' ' 80' ' ' ILE . 16.9 tt0 -59.81 -52.61 64.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.75 -49.55 65.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -51.79 -39.48 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.833 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.5 tt -82.89 -31.44 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -49.3 -47.86 46.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.3 mt-10 -79.45 -49.28 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.589 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.0 tm? -45.29 -34.33 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.4 t-20 -66.35 -44.57 82.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.487 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 6.5 mt-30 -74.01 -23.53 59.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -59.24 -31.37 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -127.36 -53.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -69.55 -17.74 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.45 16.99 11.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 110.957 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.55 135.62 53.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -92.95 94.54 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -174.97 132.92 0.47 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 168.89 23.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.1 t -156.32 173.9 16.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' N ' ' OG1' ' A' ' 58' ' ' THR . 25.8 m-20 -73.01 -49.02 31.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -155.71 136.54 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -95.08 126.52 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -90.9 141.11 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 6.4 t80 -79.59 135.74 56.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 107.86 2.58 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -168.9 35.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 4.6 mmt -56.89 81.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' LEU . 2.0 mt-10 -156.19 -168.0 2.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -77.71 54.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.15 111.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' A' ' 107' ' ' LEU . 9.0 p -105.17 5.75 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.602 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -67.73 60.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -111.87 -140.43 8.08 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.928 ' HB2' HD11 ' A' ' 37' ' ' ILE . 9.5 pt-20 -133.77 113.75 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.787 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.859 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.5 pt -98.52 145.03 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CD1' HD13 ' A' ' 37' ' ' ILE . 18.6 m-85 -102.77 120.47 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG11 HG21 ' A' ' 99' ' ' VAL . 42.7 t -111.23 152.88 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 44' ' ' ILE . 1.8 p -140.62 98.19 7.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' O ' ' CG ' ' A' ' 82' ' ' GLU . 18.1 Cg_endo -75.0 2.49 6.57 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.454 1.765 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -81.57 -47.62 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.742 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.8 mp -79.13 -25.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.626 HG13 ' OE1' ' A' ' 95' ' ' GLU . 42.6 t -76.58 -54.79 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 79' ' ' LEU . 11.8 pt-20 -48.49 -49.5 35.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 10.6 pt-20 -59.6 -29.0 67.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -77.82 -34.51 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.03 -28.0 48.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -70.61 -33.54 71.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.6 pt-20 -76.35 -24.61 54.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -117.2 13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER 45.69 29.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.436 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 46.5 t30 -74.59 156.81 36.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.711 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.5 m -72.31 97.63 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -46.03 -48.29 16.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.688 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.9 OUTLIER -56.25 -42.22 77.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -64.38 -47.31 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.626 ' OE1' HG13 ' A' ' 81' ' ' VAL . 2.1 mm-40 -57.57 -44.25 85.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.029 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.05 -28.12 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -65.21 -29.32 70.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 102' ' ' HIS . 47.4 mt-10 -66.05 -57.77 7.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 76' ' ' VAL . 31.4 m -56.84 -24.04 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.678 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.5 t -71.09 -57.68 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.753 ' CD1' HG23 ' A' ' 130' ' ' VAL . 21.5 pt -72.72 -17.41 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 106' ' ' HIS . 8.5 t-80 -51.58 -27.98 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -41.78 13.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.692 HG21 HD12 ' A' ' 24' ' ' ILE . 15.9 mt -79.44 -54.1 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.816 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.48 -32.3 7.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CD2' ' O ' ' A' ' 102' ' ' HIS . 1.9 m-70 -61.43 -56.69 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.544 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.581 ' HB2' HG12 ' A' ' 70' ' ' VAL . 3.2 tt -85.08 8.29 18.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -82.44 -29.87 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' TYR . . . -126.47 -101.11 1.19 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.624 ' C ' ' CD1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -37.05 148.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 111.028 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.43 -23.52 10.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 25.6 p-80 -152.65 68.58 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 64.81 138.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 115' ' ' GLU . 0.1 OUTLIER -141.67 34.67 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 114' ' ' PHE . 3.7 tt0 81.77 83.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 118' ' ' ASN . 0.1 OUTLIER -61.04 -45.11 96.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 119' ' ' SER . 1.6 t-20 65.98 164.98 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 118' ' ' ASN . 0.7 OUTLIER 163.04 120.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -73.75 -29.89 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -65.6 -43.45 89.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 126' ' ' GLN . 21.7 mmt -70.19 -46.87 63.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -53.99 -53.18 56.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -57.21 -61.11 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 1.5 mttt -56.52 -24.46 46.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.528 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.7 tt0 -77.03 -37.27 55.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -17.89 51.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -61.03 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 101' ' ' ILE . 16.3 m-85 -65.84 -33.46 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.753 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.23 -55.13 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.43 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.3 mm-40 -63.32 -28.24 69.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -52.7 10.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.653 HG13 ' HB3' ' A' ' 20' ' ' LYS . 99.5 t -71.71 -30.47 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.711 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.6 t90 -78.87 -13.78 59.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.62 -31.0 21.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -87.11 -57.52 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.015 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.5 m95 -55.07 -21.62 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.98 -43.44 73.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 m -57.26 -17.28 11.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -125.87 77.22 70.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.383 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.95 13.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.425 1.75 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.84 -60.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -145.48 -178.32 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -67.56 -27.11 66.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.13 148.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.65 108.54 1.99 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 63.54 6.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -149.43 -88.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 53.26 175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 149' ' ' LYS . 1.4 ptm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.499 0.19 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.39 156.62 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.52 126.94 41.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.565 HG21 ' HA ' ' A' ' 11' ' ' SER . 1.9 mt -105.2 135.9 41.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -148.68 160.55 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.28 -161.08 35.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.533 1.145 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 3.4 mt-10 -141.8 141.71 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.75 136.99 3.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.24 107.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.78 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 162.96 -30.23 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' HG21 ' A' ' 4' ' ' ILE . 59.9 p -55.6 -53.61 54.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -71.84 -43.01 66.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.971 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -52.03 -31.33 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.6 -52.67 8.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.33 -20.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -71.89 -40.06 69.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -120.94 36.68 4.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -57.37 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -62.9 -30.06 71.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB3' HG13 ' A' ' 133' ' ' VAL . 6.1 tptt -57.14 -37.14 71.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.61 HD22 HG12 ' A' ' 100' ' ' VAL . 1.4 mt -81.35 -30.39 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -60.78 -21.08 62.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 mt-10 -72.11 -50.15 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 104' ' ' ILE . 31.6 pt -64.45 -42.39 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -65.83 -48.33 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 43.1 tttt -67.37 -33.34 75.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 83.4 tttt -61.58 -43.74 98.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' C ' HG22 ' A' ' 29' ' ' ILE . 5.0 tp10 -78.38 1.89 20.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 28' ' ' GLU . 10.1 tp 45.01 52.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.729 ' HA3' HD11 ' A' ' 107' ' ' LEU . . . -126.17 89.52 0.36 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.26 97.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 107' ' ' LEU . 31.2 m -132.64 -166.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -150.54 120.55 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.547 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 26.5 t -105.83 111.01 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 8.9 m-20 -91.57 108.99 20.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.587 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.4 t -98.73 132.03 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.971 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.7 mp -110.55 108.45 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 7' ' ' GLU . 7.2 mt -79.62 121.78 25.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.587 ' CG2' HD12 ' A' ' 44' ' ' ILE . 34.0 m -149.6 141.19 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 44' ' ' ILE . 3.6 p -78.34 -164.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HA ' HG22 ' A' ' 44' ' ' ILE . 37.5 tt0 -74.1 -38.38 63.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -75.12 -38.3 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.33 -38.9 74.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 ' O ' ' A' ' 40' ' ' SER . 1.3 tt -76.38 -32.65 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.55 -47.13 57.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.1 mt-10 -79.44 -49.33 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -45.57 -40.73 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' ARG . 6.9 t-20 -62.22 -44.15 97.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 22.2 mt-30 -74.0 -23.9 59.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' GLU . 47.9 mt-30 -62.4 -20.08 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -130.55 -54.58 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' ASN . 13.6 mmt180 -74.47 -22.1 59.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 62.45 11.95 37.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 6.4 mt-30 -106.77 136.39 46.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -90.84 95.43 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 16.8 ptt85 -174.58 128.34 0.43 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.564 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.0 t -155.09 171.46 19.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -71.5 -52.78 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -149.38 134.01 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.0 OUTLIER -94.83 128.97 41.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.1 m -111.21 141.44 44.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -84.82 140.19 37.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 108.11 2.64 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.833 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.4 pt? -170.39 114.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -102.66 87.84 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -125.1 -174.62 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -38.96 -55.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.54 ' OD2' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -127.9 -73.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.833 ' O ' HD11 ' A' ' 65' ' ' LEU . 10.1 p -168.78 -55.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 19.0 t80 38.23 29.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -115.57 -155.09 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.525 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 1.1 mt-10 -121.86 119.13 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.958 ' O ' HD12 ' A' ' 37' ' ' ILE . 34.6 pt -107.1 143.08 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.971 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.0 m-85 -103.55 128.26 50.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 24.5 t -123.06 149.33 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.737 ' O ' HG23 ' A' ' 81' ' ' VAL . 5.7 p -138.39 104.0 7.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 108.318 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.92 1.55 7.56 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.459 1.768 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -75.48 -57.36 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.509 HD11 ' HA ' ' A' ' 41' ' ' GLU . 4.1 mp -70.79 -33.25 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 77' ' ' CYS . 54.3 t -63.93 -50.68 76.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.523 ' HG2' ' CG ' ' A' ' 92' ' ' PHE . 44.2 mt-10 -65.32 -42.64 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.39 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -78.89 -52.3 8.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -56.61 -28.38 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 1.1 mtm105 -61.13 -45.0 96.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -83.56 -22.12 32.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -101.19 11.0 40.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.4 t-20 39.86 29.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' N ' ' C ' ' A' ' 88' ' ' PHE . 48.5 t30 -81.66 156.32 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.688 HG21 ' CH2' ' A' ' 134' ' ' TRP . 19.0 p -74.76 97.61 3.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.626 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -48.22 -26.82 2.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.0 pt-20 -69.04 -43.67 74.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -68.76 -51.37 41.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.703 ' OE1' HG13 ' A' ' 81' ' ' VAL . 1.3 tm-20 -53.49 -36.09 61.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.943 ' CD1' HD21 ' A' ' 13' ' ' LEU . 1.7 tm? -80.81 -35.74 32.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.831 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.351 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 102' ' ' HIS . 17.0 mt-10 -62.36 -55.21 30.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 1.7 m -55.47 -25.5 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 21' ' ' LEU . 73.4 t -76.07 -57.51 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.905 HD11 HG23 ' A' ' 130' ' ' VAL . 2.4 pt -66.95 -16.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.928 ' HA ' HD23 ' A' ' 105' ' ' LEU . 11.7 t60 -51.86 -39.02 58.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -71.43 -38.08 62.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.524 ' CD1' HD11 ' A' ' 24' ' ' ILE . 66.4 mt -80.02 -25.93 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.928 HD23 ' HA ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER -55.35 -44.9 76.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 3.7 m-70 -58.42 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.656 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.729 HD11 ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -59.01 -23.8 62.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -57.06 -30.47 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.47 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 163.66 -175.88 39.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER 67.73 139.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 111.004 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.56 71.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -175.22 -63.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.567 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 179.72 116.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.463 ' CD1' ' CZ ' ' A' ' 110' ' ' TYR . 20.1 p90 -116.53 23.99 11.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -119.79 -51.71 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.13 143.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.59 -82.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -173.96 165.97 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.14 76.32 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.979 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -79.26 -41.13 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.237 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -65.7 -33.64 76.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 37.4 tpp -67.08 -36.74 82.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -52.47 -30.81 31.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -76.6 -41.3 46.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.264 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 4.2 mttp -64.13 -29.88 70.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -79.98 -33.53 39.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.37 -17.89 57.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -72.39 -55.69 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.623 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 12.0 m-85 -69.59 -29.97 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.905 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -60.23 -55.15 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 130' ' ' VAL . 8.6 pt-20 -67.41 -34.13 76.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 0.9 OUTLIER -65.19 -47.68 76.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.831 HG12 HD21 ' A' ' 97' ' ' LEU . 72.7 t -79.8 -31.5 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.688 ' CH2' HG21 ' A' ' 91' ' ' THR . 9.3 t90 -79.49 -12.88 59.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -49.77 -29.04 12.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -87.92 -57.07 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.27 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 93' ' ' GLU . 3.9 m95 -56.57 -20.3 20.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.34 -28.33 7.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 21.5 m -69.47 -7.45 38.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.36 79.64 24.81 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.04 -87.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 61.0 p -36.92 140.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -111.11 -20.94 12.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.112 . . . . 0.0 110.341 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -82.77 -61.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -178.25 171.31 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 7.7 t0 176.92 143.39 0.24 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.37 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.449 1.763 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 144.27 64.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 95.24 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' H1 ' ' H ' ' A' ' 32' ' ' VAL . 8.3 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.51 0.195 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.705 ' H ' HD12 ' A' ' 2' ' ' ILE . 1.2 mp -102.18 155.62 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -141.68 127.8 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 38' ' ' LEU . 8.8 mt -89.92 100.72 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.764 HD12 ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -87.45 139.67 30.31 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.98 -143.31 46.31 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.61 157.12 33.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.767 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.88 157.57 7.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -40.09 104.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.92 -30.63 1.22 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.562 1.163 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' HD13 ' A' ' 38' ' ' LEU . 2.1 t -56.27 -54.77 41.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -69.39 -43.2 73.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.102 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -51.43 -31.8 24.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.03 -53.15 9.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.22 -20.53 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.69 -51.21 13.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.36 35.66 2.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -70.79 -50.71 32.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -61.18 -31.37 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HB3' HG13 ' A' ' 133' ' ' VAL . 4.3 tptt -59.64 -37.7 79.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.64 ' CD1' HD11 ' A' ' 14' ' ' LEU . 3.9 mt -79.05 -28.7 43.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' LYS . 7.5 mt-10 -64.04 -20.95 66.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.32 -52.42 10.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 104' ' ' ILE . 39.5 pt -59.83 -46.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 HG12 ' HA ' ' A' ' 22' ' ' GLU . 1.2 p -64.85 -42.52 95.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 18.8 tttt -64.92 -35.91 82.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -64.46 -42.54 95.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.06 -60.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' H ' ' A' ' 30' ' ' GLY . 10.4 tt -140.27 -62.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.64 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 106.0 32.23 3.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -169.53 92.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -140.92 -169.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' N ' HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -151.83 108.6 3.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.582 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.2 t -129.68 102.1 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 73' ' ' GLU . 2.8 m120 -102.09 103.03 13.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.6 133.8 29.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.764 ' CG1' HD12 ' A' ' 5' ' ' LEU . 2.4 mp -92.34 107.6 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 4' ' ' ILE . 14.1 mt -81.82 113.58 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' HB ' ' A' ' 44' ' ' ILE . 18.8 m -144.29 136.77 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 p -71.54 -165.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 44' ' ' ILE . 20.3 tt0 -73.17 -41.63 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -43.89 56.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.64 -37.59 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.243 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.655 ' HB ' HG23 ' A' ' 39' ' ' VAL . 7.5 tt -80.33 -33.88 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.53 -47.93 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.83 -34.45 45.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -56.5 -53.0 62.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -55.87 -44.84 78.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' OE1' ' CA ' ' A' ' 54' ' ' GLN . 5.5 mm-40 -50.31 -32.2 16.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -53.65 -28.08 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -119.61 -47.69 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.7 mmt-85 -69.69 -30.24 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.76 3.56 55.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.443 1.089 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CA ' ' OE1' ' A' ' 49' ' ' GLN . 17.6 pt20 -138.34 161.22 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 0.786 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.28 104.23 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 5.7 mmm180 -142.17 104.63 5.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.334 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.25 20.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.819 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -167.53 171.4 10.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.349 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -74.68 -47.55 31.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.7 p -155.56 131.78 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.787 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.37 138.79 32.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.0 t -106.91 139.84 40.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.657 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.8 t80 -80.15 142.1 54.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.0 109.0 2.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -172.61 36.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 113' ' ' GLU . 2.5 tpt -41.31 96.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 15.6 mm-40 -135.22 -169.92 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 67' ' ' GLU . 2.1 tt0 -34.5 -50.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' O ' ' CE1' ' A' ' 106' ' ' HIS . 0.0 OUTLIER -141.29 -69.11 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.4 p 178.51 -62.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.661 ' H ' HG13 ' A' ' 70' ' ' VAL . 42.0 p90 37.9 29.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.676 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.17 -111.31 2.31 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 4.5 pt-20 -146.42 160.63 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -145.56 132.06 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.74 ' CE1' HG21 ' A' ' 37' ' ' ILE . 46.8 m-85 -83.08 119.02 23.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 99' ' ' VAL . 33.1 t -112.79 146.24 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.5 ' SG ' HD13 ' A' ' 44' ' ' ILE . 5.1 p -145.28 96.35 4.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.824 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.2 Cg_endo -74.98 0.07 9.34 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.38 58.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.819 HD13 ' O ' ' A' ' 58' ' ' THR . 3.2 mp -76.07 -35.36 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 77' ' ' CYS . 86.0 t -54.12 -52.61 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.6 -49.47 62.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.96 -35.99 71.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 80' ' ' ILE . 19.2 m120 -77.92 -30.83 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.985 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -76.72 -36.33 57.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.13 -26.73 48.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.59 -24.92 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -135.06 -75.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER 169.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.985 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 3.4 t30 -89.03 134.8 33.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.7 p -73.75 97.93 2.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -40.69 -29.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.556 ' O ' HD12 ' A' ' 97' ' ' LEU . 13.8 pt-20 -59.23 -53.48 57.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.502 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 4.1 ttpt -63.59 -52.22 61.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.98 -30.43 34.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.961 HD22 HD21 ' A' ' 13' ' ' LEU . 5.6 tt -81.6 -41.43 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.806 HD23 ' HB ' ' A' ' 133' ' ' VAL . 1.6 mp -53.86 -29.23 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 102' ' ' HIS . 76.6 mt-10 -63.98 -52.52 59.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 96' ' ' LEU . 27.5 m -62.05 -25.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.519 ' CG1' HD21 ' A' ' 21' ' ' LEU . 2.3 t -75.92 -57.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.8 ' CD1' HG23 ' A' ' 130' ' ' VAL . 18.5 pt -70.8 -16.47 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 98' ' ' GLU . 68.4 t60 -51.93 -30.18 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.64 -49.81 5.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 60.3 mt -66.54 -52.64 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.849 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.13 -32.63 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.674 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -59.4 -57.45 12.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.0 -11.39 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -65.8 -22.42 66.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.575 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 161.43 173.6 30.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER 61.01 139.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 110.994 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -121.61 -50.31 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.95 163.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.412 ' HB2' ' CE ' ' A' ' 66' ' ' MET . 5.8 tt0 -87.76 113.39 23.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -119.65 68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.99 -52.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -40.51 -67.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -83.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -171.56 171.96 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.1 p -160.07 88.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -75.68 -42.36 51.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -60.56 -43.01 97.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 30.9 tpp -59.55 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -38.5 57.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.78 -54.39 27.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.537 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -61.21 -24.37 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' HG3' HD11 ' A' ' 101' ' ' ILE . 1.8 tt0 -81.3 -34.79 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -18.63 51.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.99 -53.38 17.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.645 ' HB2' HD12 ' A' ' 101' ' ' ILE . 2.9 m-85 -72.91 -37.34 67.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.8 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.7 t -55.26 -55.34 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -61.13 -31.0 70.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.63 -54.36 8.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.806 ' HB ' HD23 ' A' ' 97' ' ' LEU . 42.8 t -68.91 -27.13 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.502 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.4 t90 -79.13 -13.89 59.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.94 -26.7 11.71 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.66 -58.49 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.282 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.8 m95 -58.57 -21.14 52.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 107.996 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.5 mmm180 -56.39 -29.32 61.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -4.51 42.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -141.88 63.87 16.94 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.3 Cg_endo -75.01 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER 38.74 79.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -47.26 142.78 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.5 t70 44.48 90.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.5 p -129.69 168.37 16.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.8 t0 64.94 104.68 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -170.38 78.32 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.98 -178.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' CE ' HG21 ' A' ' 25' ' ' VAL . 5.7 ptt? . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.515 0.198 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 2' ' ' ILE . 4.9 mp -96.07 156.4 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.14 146.54 51.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.548 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.53 157.02 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.547 HD12 HG13 ' A' ' 37' ' ' ILE . 8.7 mt -130.9 157.97 41.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 51.4 -129.95 33.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -163.64 161.53 23.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 0.731 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 144.83 139.75 3.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -38.85 104.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.603 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.38 -27.77 0.38 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 3.9 t -60.49 -53.52 56.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -28.42 63.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.012 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -68.1 -30.06 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.775 ' CD2' HG22 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -77.05 -50.71 12.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -51.55 -20.72 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 60.7 m-20 -73.6 -44.85 56.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.794 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -114.28 42.98 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -54.03 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.14 -35.66 79.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -55.25 -35.92 65.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 HD23 HG21 ' A' ' 133' ' ' VAL . 8.7 mt -80.13 -28.61 38.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 1.4 mt-10 -64.56 -19.48 65.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -77.07 -54.02 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 16.0 pt -51.71 -46.97 39.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.654 HG13 HD13 ' A' ' 104' ' ' ILE . 22.7 m -61.42 -43.99 97.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -67.92 -27.81 66.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 6.7 tttp -70.39 -43.78 69.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' C ' HG22 ' A' ' 29' ' ' ILE . 1.4 tm-20 -96.78 13.61 27.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG22 ' C ' ' A' ' 28' ' ' GLU . 8.4 tp 44.13 55.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -78.86 -59.81 2.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 t0 49.5 80.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 107' ' ' LEU . 4.9 m -148.27 -161.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -138.1 115.33 11.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.55 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.3 t -106.01 101.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -95.62 99.9 11.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.1 m -87.39 141.65 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.869 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.1 mp -104.64 108.27 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HG13 ' A' ' 39' ' ' VAL . 8.2 mt -80.67 118.09 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.687 HG23 ' HB ' ' A' ' 44' ' ' ILE . 13.9 m -152.33 140.26 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.611 ' O ' HG22 ' A' ' 44' ' ' ILE . 33.3 p -73.91 -164.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' HA ' HD11 ' A' ' 80' ' ' ILE . 50.0 tt0 -73.02 -43.26 62.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -27.69 61.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HB2' ' N ' ' A' ' 40' ' ' SER . 45.1 mt-10 -74.83 -42.59 57.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.687 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.0 tp -76.44 -30.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.07 64.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -78.26 -46.28 20.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 2.6 tm? -49.63 -53.38 24.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 5.0 t-20 -56.07 -27.29 52.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -24.82 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -61.4 -22.02 64.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -129.87 -53.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 6.2 tpt85 -71.23 -24.15 62.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.28 13.22 35.14 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.06 140.75 46.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.13 95.32 9.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.56 128.55 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.653 ' CG2' HD12 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -144.39 13.49 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 2.5 m-20 76.32 -52.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.3 p -154.87 130.22 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.653 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -98.39 133.34 42.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 t -115.3 149.99 36.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -85.02 145.67 43.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.059 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 107.04 2.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.6 pt? -177.35 45.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -61.73 78.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' LEU . 8.7 mt-10 -129.93 -171.85 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -85.53 19.97 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -169.22 104.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.596 ' O ' ' CD1' ' A' ' 71' ' ' TYR . 11.4 p -76.61 -55.87 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.622 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 6.9 p90 31.84 37.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -122.32 -138.89 5.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.869 ' HB2' HD11 ' A' ' 37' ' ' ILE . 4.6 pt-20 -129.7 159.1 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.493 ' CD1' ' CD2' ' A' ' 102' ' ' HIS . 12.1 tt -149.35 117.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.841 ' O ' HG23 ' A' ' 60' ' ' VAL . 85.2 m-85 -76.56 134.51 39.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.984 HG11 HG21 ' A' ' 99' ' ' VAL . 47.7 t -125.1 149.46 29.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 93.5 7.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.331 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.413 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.96 1.81 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -57.22 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -70.54 -41.66 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 92.3 t -53.37 -53.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 10.7 tt0 -56.02 -45.05 79.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -54.71 -44.3 73.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.51 65.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.09 -26.89 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 10.9 mtt180 -72.0 -39.68 69.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.6 -9.65 59.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -128.99 14.44 6.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 38.83 36.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -73.96 171.9 12.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.51 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 18.0 m -86.37 97.36 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -50.12 -36.68 30.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 1.1 mp0 -66.48 -46.88 74.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.4 OUTLIER -64.87 -47.98 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.493 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.8 -43.53 69.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.819 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -73.55 -34.45 65.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.735 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -59.71 -30.45 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' HIS . 27.6 mt-10 -60.56 -56.72 17.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.984 HG21 HG11 ' A' ' 76' ' ' VAL . 2.9 m -61.46 -24.21 32.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.775 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.2 t -68.92 -52.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 130' ' ' VAL . 49.5 pt -80.69 -16.08 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.493 ' CD2' ' CD1' ' A' ' 74' ' ' ILE . 12.9 t60 -51.42 -28.73 13.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.89 -51.14 4.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.759 ' O ' HD23 ' A' ' 107' ' ' LEU . 81.4 mt -68.98 -54.93 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.837 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.7 -24.19 2.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' N ' HD12 ' A' ' 105' ' ' LEU . 2.4 t-160 -58.46 -67.02 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.54 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.759 HD23 ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.77 -19.76 62.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.607 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -56.66 -22.45 34.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.2 -121.91 0.73 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.44 1.088 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.616 ' CE1' ' SD ' ' A' ' 122' ' ' MET . 12.0 m-85 56.45 92.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 111.035 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.5 t0 178.35 95.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.3 m170 53.75 46.73 25.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.32 -48.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.33 -50.48 64.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.44 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -175.89 179.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.85 -80.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -162.71 -48.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 75.89 137.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -45.91 56.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.71 -47.47 76.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.616 ' SD ' ' CE1' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -69.84 -48.05 60.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -56.87 -38.88 73.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.95 -54.26 28.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.472 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 5.0 mtmm -55.94 -24.36 37.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.745 ' HB2' HD22 ' A' ' 105' ' ' LEU . 15.0 tt0 -75.92 -38.9 57.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -67.94 -34.81 77.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -53.18 -50.9 63.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 2.7 m-85 -72.76 -45.12 60.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.46 -45.6 78.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.1 mt-10 -67.38 -42.2 83.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.51 84.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.735 HG12 HD21 ' A' ' 97' ' ' LEU . 92.2 t -71.85 -39.31 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.584 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.9 t90 -75.95 -13.19 60.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.25 -33.31 23.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.58 -54.02 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 0.775 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.794 ' CD1' HD23 ' A' ' 17' ' ' LEU . 5.2 m95 -56.89 -20.14 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.31 -35.32 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.49 -15.74 19.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -116.76 83.4 14.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.24 58.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.977 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.54 15.27 3.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -166.63 135.42 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -101.63 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -40.78 101.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -43.85 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 166.19 55.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.26 112.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.523 0.202 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.5 mp -137.22 155.12 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -146.26 148.21 32.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.529 ' N ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -114.91 149.63 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD12 HD12 ' A' ' 37' ' ' ILE . 17.9 mt -129.38 163.06 26.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 54.13 -133.26 45.46 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.4 156.94 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.81 136.98 3.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.2 OUTLIER -38.27 104.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.93 -28.34 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -54.84 38.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -43.39 81.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.076 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -49.64 -33.71 16.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.0 -47.75 23.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.18 -24.66 7.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -68.87 -47.86 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.34 41.26 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -47.85 22.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.82 -34.38 75.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.76 -35.99 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.664 HD23 HG21 ' A' ' 133' ' ' VAL . 4.5 mt -79.42 -27.53 41.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.59 -19.81 65.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.65 -53.24 8.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.6 pt -51.41 -45.48 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.66 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -67.17 -48.51 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' N ' HG23 ' A' ' 25' ' ' VAL . 1.4 tppt? -57.17 -41.48 79.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttm -60.07 -48.89 79.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.01 -61.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.482 HG23 ' H ' ' A' ' 30' ' ' GLY . 7.1 tp -147.95 -57.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.482 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 90.37 54.77 2.05 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -169.61 66.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 107' ' ' LEU . 7.5 p -136.07 160.57 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.412 ' N ' HG22 ' A' ' 32' ' ' VAL . 5.1 m-70 -127.25 101.72 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG11 ' HA3' ' A' ' 103' ' ' GLY . 14.2 t -120.21 105.36 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -99.27 138.9 35.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.768 ' C ' HD13 ' A' ' 37' ' ' ILE . 2.8 t -108.72 137.57 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.822 ' N ' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -99.63 106.37 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.9 mt -82.2 108.31 15.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.572 HG23 ' HB ' ' A' ' 44' ' ' ILE . 14.8 m -144.44 137.21 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 2.2 p -67.67 -163.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.874 ' HA ' HD11 ' A' ' 80' ' ' ILE . 22.8 tt0 -71.81 -49.79 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.34 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -35.29 74.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 mt-10 -60.94 -37.47 82.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.706 HD13 ' SG ' ' A' ' 77' ' ' CYS . 0.9 OUTLIER -83.29 -30.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.38 -48.39 25.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 6.0 mt-10 -80.64 -49.13 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.501 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -46.47 -35.31 5.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 10.4 t-20 -57.46 -55.04 40.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 7.9 pt20 -69.51 -27.31 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -56.41 -20.9 21.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.7 m-85 -129.82 -51.33 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ASN . 19.9 mmt85 -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 76.6 -1.27 62.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.147 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.12 152.67 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -102.35 100.69 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -172.89 126.49 0.5 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 174.29 13.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.644 ' CG2' HD12 ' A' ' 61' ' ' LEU . 3.6 t -166.14 170.86 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.384 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' HG12 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -69.16 -59.01 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 75' ' ' TYR . 2.3 p -145.39 136.09 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.644 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -96.46 129.4 43.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 m -101.93 130.35 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 64' ' ' PRO . 12.1 t80 -83.58 141.92 42.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.99 110.74 3.18 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 64' ' ' PRO . 57.2 mt -131.45 58.36 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.437 ' CE ' ' HG2' ' A' ' 113' ' ' GLU . 12.8 mmt -71.84 57.02 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 68' ' ' GLU . 9.9 mp0 -113.26 -171.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -36.03 -50.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.876 ' O ' HG23 ' A' ' 70' ' ' VAL . 2.0 m-20 -145.37 -89.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 69' ' ' ASP . 1.4 t -173.35 130.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 2.6 p90 -163.23 45.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.67 -113.32 2.44 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -157.7 160.19 37.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 0.9 OUTLIER -137.17 139.99 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.859 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.0 m-85 -85.44 132.22 34.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.716 HG11 HG21 ' A' ' 99' ' ' VAL . 44.2 t -130.33 151.03 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.85 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.9 m -145.87 101.08 4.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 108.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.439 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.05 -3.19 13.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.479 1.779 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.51 -53.59 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.874 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.7 mp -75.05 -39.42 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 ' O ' ' A' ' 77' ' ' CYS . 62.1 t -53.56 -49.31 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 15.8 mt-10 -68.87 -48.15 64.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.73 -44.27 73.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -37.73 63.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -67.07 -28.47 68.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtm180 -67.21 -35.5 79.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -84.68 -21.87 30.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.3 t80 -112.04 15.91 20.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 85' ' ' ALA . 8.2 t-20 39.56 30.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.445 ' N ' ' C ' ' A' ' 88' ' ' PHE . 14.2 t30 -75.82 158.4 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' HG2' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -82.52 97.9 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.604 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -52.59 -24.83 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.802 ' HG2' HG22 ' A' ' 91' ' ' THR . 10.5 pt-20 -73.91 -50.41 20.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 32.5 ttpt -66.37 -42.99 87.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.527 ' CD ' HG13 ' A' ' 81' ' ' VAL . 8.7 tt0 -54.71 -43.21 72.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.831 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.1 tt -74.18 -42.5 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -51.35 -32.4 25.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 102' ' ' HIS . 24.3 mt-10 -62.27 -52.84 62.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 96' ' ' LEU . 10.6 m -63.18 -25.68 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.725 HG23 HD23 ' A' ' 96' ' ' LEU . 44.6 t -71.05 -56.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.816 ' CD1' HG23 ' A' ' 130' ' ' VAL . 20.3 pt -75.75 -15.44 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 98' ' ' GLU . 67.0 t60 -51.08 -33.12 24.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.417 ' HA3' HG11 ' A' ' 34' ' ' VAL . . . -79.58 -52.83 4.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.66 HG23 HG12 ' A' ' 25' ' ' VAL . 68.0 mt -61.95 -52.67 57.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -49.54 -36.28 22.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.6 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -60.16 -47.45 85.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -79.36 -16.91 55.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -66.96 -26.56 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.8 153.69 9.0 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -166.81 -173.76 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 110.981 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 112' ' ' HIS . 6.5 m-20 -79.67 62.34 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER 39.29 77.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.537 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 66' ' ' MET . 7.8 mp0 59.39 118.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.242 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -123.72 -39.1 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER 68.68 67.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 117' ' ' LYS . 35.9 m-20 60.01 -86.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.1 OUTLIER 45.73 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -67.67 -68.77 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.465 ' O ' ' OG ' ' A' ' 119' ' ' SER . 5.7 p 36.79 84.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 mttp -71.37 -54.13 11.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -56.59 -46.75 80.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -29.19 70.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -58.74 -34.13 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -46.15 91.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.68 -28.75 66.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 101' ' ' ILE . 23.8 tt0 -80.59 -34.31 35.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -17.43 54.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -67.18 -59.79 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.592 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.3 m-85 -67.53 -36.73 81.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.816 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.04 -56.53 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.9 tt0 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -48.93 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 21' ' ' LEU . 93.0 t -71.1 -35.26 58.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.495 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.5 t90 -71.3 -13.67 61.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.53 6.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.38 -62.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 0.73 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.0 m95 -56.37 -21.34 24.06 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmm-85 -52.44 -23.61 6.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 m -75.6 -1.47 24.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.85 81.05 12.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -171.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 15.7 m 39.42 82.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' ASP . 4.1 tp10 -76.87 164.32 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' GLU . 5.4 t70 -40.03 104.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.6 t 173.93 79.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.29 132.86 0.73 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.84 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 161.83 102.46 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.5 tttt 70.02 165.13 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' CB ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.508 0.194 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mp -96.46 157.1 3.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.39 124.1 42.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.24 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -90.06 145.96 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 53.73 -148.11 17.97 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.467 1.105 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -162.47 168.58 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 110.255 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 136.86 159.32 8.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -39.54 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 0.728 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.728 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 153.02 -37.33 0.76 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 54.3 p -54.98 -53.97 48.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -61.58 -42.82 99.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.848 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.4 -32.71 62.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -75.5 -53.51 8.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.21 -20.03 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -71.52 -37.49 71.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.725 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -127.9 38.88 3.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -54.28 27.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -20.6 55.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -62.8 -37.32 86.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' CD1' HD11 ' A' ' 14' ' ' LEU . 16.1 mt -80.54 -34.69 35.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 25' ' ' VAL . 19.9 mt-10 -54.64 -20.99 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.16 -52.2 13.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.738 HG21 ' CD1' ' A' ' 129' ' ' TYR . 11.0 pt -71.45 -26.66 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.11 -42.55 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -52.59 29.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -51.54 -45.62 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.49 -61.06 2.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG23 ' H ' ' A' ' 31' ' ' ASP . 5.0 tt -145.69 -53.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.04 -27.2 0.34 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' H ' HG23 ' A' ' 29' ' ' ILE . 13.7 t0 -161.61 130.19 4.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.687 ' CG2' HG22 ' A' ' 25' ' ' VAL . 13.5 t -129.5 159.79 41.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -116.67 110.01 17.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.607 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.635 HG13 HD11 ' A' ' 74' ' ' ILE . 1.3 t -134.84 104.23 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.559 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -99.74 99.3 10.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -84.71 126.79 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.07 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.5 mp -94.32 108.09 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 13.2 mt -84.15 111.28 19.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.873 ' CG2' HD12 ' A' ' 44' ' ' ILE . 33.4 m -137.02 131.71 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' N ' ' HB2' ' A' ' 43' ' ' GLU . 11.1 p -69.18 -164.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.72 ' HA ' HD11 ' A' ' 80' ' ' ILE . 17.2 tt0 -70.39 -48.49 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.25 -36.3 71.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' N ' ' A' ' 40' ' ' SER . 6.7 mm-40 -64.06 -39.72 94.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.873 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.1 tt -79.6 -34.25 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -48.54 43.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' GLN . 3.1 mt-10 -79.46 -48.94 13.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.9 tm? -44.71 -42.42 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 6.6 t-20 -57.82 -41.39 82.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.4 tt0 -79.67 -25.99 41.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -57.11 -23.96 50.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -129.04 -50.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -70.22 -19.09 63.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.29 6.18 56.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -110.91 144.06 40.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.794 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -99.47 95.65 7.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.454 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 3.5 ppt_? -174.23 130.04 0.48 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.37 22.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.61 ' CG2' HD12 ' A' ' 61' ' ' LEU . 2.3 t -152.87 171.41 18.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.447 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 29.7 m-20 -61.76 -63.02 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.603 HG23 HG22 ' A' ' 76' ' ' VAL . 12.1 p -146.19 138.63 20.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.61 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -100.67 130.74 46.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.5 m -112.77 148.32 35.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -78.83 146.81 69.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.4 Cg_endo -74.99 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.2 pt? -178.07 98.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.39 101.55 11.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -160.81 -177.94 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 4.5 mt-10 -81.2 51.75 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 1.1 m-20 155.3 120.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.713 HG22 ' H ' ' A' ' 72' ' ' GLY . 0.1 OUTLIER -90.66 -53.39 9.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 70' ' ' VAL . 18.3 p90 33.27 36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.713 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -115.56 -134.18 5.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.7 pt-20 -127.25 151.59 48.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 0.778 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.688 HD13 ' N ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -131.31 118.23 39.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 1.07 ' CD1' HD13 ' A' ' 37' ' ' ILE . 65.1 m-85 -85.29 126.45 33.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.626 HG21 ' CG2' ' A' ' 99' ' ' VAL . 14.9 t -127.62 148.2 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.775 ' O ' HG23 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -133.81 104.51 11.81 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.417 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 -6.37 17.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 110.955 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.2 OUTLIER -73.74 -53.98 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.72 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.6 mp -76.89 -39.67 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.0 t -56.7 -58.4 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.1 pt-20 -55.88 -46.18 78.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.7 OUTLIER -52.52 -31.57 36.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 7.0 m120 -78.98 -49.93 11.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.699 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.07 -27.22 43.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 4.1 mtp-105 -66.88 -43.16 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.5 pt-20 -76.36 -17.64 59.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.7 t80 -115.77 13.21 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.2 t-20 41.22 28.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.699 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 47.7 t30 -81.53 150.39 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.873 HG22 ' HG2' ' A' ' 93' ' ' GLU . 2.3 m -69.69 96.92 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -43.1 -42.7 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HG2' HG22 ' A' ' 91' ' ' THR . 0.8 OUTLIER -56.43 -41.57 76.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' HZ3' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -65.58 -47.94 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.615 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 3.2 tt0 -57.14 -37.37 71.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.848 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -81.2 -29.91 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.734 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.4 -39.32 88.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 102' ' ' HIS . 9.0 mt-10 -58.75 -55.55 33.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.626 ' CG2' HG21 ' A' ' 76' ' ' VAL . 19.4 m -58.13 -22.06 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 97' ' ' LEU . 2.2 t -77.5 -59.76 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.866 ' CD1' HG23 ' A' ' 130' ' ' VAL . 44.9 pt -71.27 -16.3 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.538 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -54.04 -48.29 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.631 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.29 -53.03 49.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 24' ' ' ILE . 47.9 mt -63.54 -42.48 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.641 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.3 OUTLIER -49.03 -52.87 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.492 ' CE1' ' O ' ' A' ' 102' ' ' HIS . 12.9 m80 -55.96 -38.29 70.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.608 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.466 HD13 ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.96 9.06 23.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -77.53 -30.14 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 140.63 47.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.669 ' CZ ' ' HE1' ' A' ' 122' ' ' MET . 2.0 p90 -173.83 127.51 0.39 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 112' ' ' HIS . 0.5 OUTLIER -52.27 127.46 22.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.465 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -35.26 138.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER 77.92 -54.02 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 110' ' ' TYR . 1.8 t80 67.95 -63.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -156.14 118.22 4.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.54 175.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.02 -50.3 19.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -172.2 146.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 83.4 p -119.27 -170.8 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.51 -46.49 63.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -48.9 74.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.669 ' HE1' ' CZ ' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.46 -29.79 26.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -77.02 -61.2 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -29.22 39.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' A' ' 105' ' ' LEU . 12.2 tt0 -73.25 -38.49 65.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -24.52 60.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -57.1 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.738 ' CD1' HG21 ' A' ' 24' ' ' ILE . 12.2 m-85 -72.99 -43.82 61.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.866 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -55.22 -51.66 53.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.446 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.2 mm-40 -60.55 -26.0 66.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.57 -52.95 6.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.734 HG12 HD21 ' A' ' 97' ' ' LEU . 95.1 t -66.09 -49.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.861 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.4 t90 -65.49 -13.16 58.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.77 -31.66 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.8 -56.08 3.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 93' ' ' GLU . 6.9 m95 -56.41 -20.57 20.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.026 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 134' ' ' TRP . 2.4 mmt85 -52.41 -30.62 30.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -14.57 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.001 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.74 65.76 47.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.447 1.762 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 141' ' ' PRO . 50.5 p -35.93 -51.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 177.07 166.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -67.96 101.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -167.7 -57.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.26 137.34 97.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.433 1.754 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 140.96 57.75 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.39 108.67 16.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.247 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.444 ' N ' ' OE2' ' A' ' 22' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 22' ' ' GLU . 2.3 mp -97.44 148.2 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.21 123.37 34.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -115.97 110.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' A' ' 35' ' ' ASN . 1.1 pt? -125.62 163.21 23.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.48 -174.69 40.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.86 140.97 40.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.34 141.31 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -39.65 105.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.624 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.8 -35.19 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 45.1 t -55.44 -51.29 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.44 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -49.63 -32.05 12.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -74.16 -47.98 32.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -51.83 -19.67 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.49 -48.77 21.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -117.7 40.58 3.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.7 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -72.68 -58.02 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 2.1 mt-10 -57.91 -35.01 70.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -57.72 -40.44 79.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG21 ' A' ' 133' ' ' VAL . 6.5 mt -77.95 -28.87 49.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' HA ' HG12 ' A' ' 25' ' ' VAL . 5.5 mt-10 -65.94 -20.8 66.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.8 mt-10 -74.91 -52.95 9.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 104' ' ' ILE . 24.7 pt -54.21 -43.98 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 22' ' ' GLU . 8.8 p -73.28 -41.95 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 3.4 ttmt -53.5 -53.74 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -60.34 -49.79 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -44.8 -60.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.6 tp -138.97 -61.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 160.46 -62.14 0.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -138.78 147.03 42.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.744 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG11 ' CD1' ' A' ' 107' ' ' LEU . 6.2 m -141.04 -158.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 71' ' ' TYR . 8.6 m-70 -141.44 97.69 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.1 t -123.69 102.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.654 ' HB3' HD21 ' A' ' 5' ' ' LEU . 8.3 m-80 -95.64 105.98 18.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.01 131.0 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.911 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.0 mp -114.29 107.1 22.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 8.7 mt -84.12 120.16 25.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.647 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.6 m -142.8 136.35 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -70.16 -164.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' H ' HD22 ' A' ' 79' ' ' LEU . 34.3 tt0 -73.58 -51.33 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -71.73 -32.35 67.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.28 -31.2 69.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.074 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.647 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -88.85 -28.99 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.9 -49.67 38.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.23 -49.77 11.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD11 ' CE2' ' A' ' 75' ' ' TYR . 2.4 tm? -44.01 -36.79 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' ND2' HD11 ' A' ' 61' ' ' LEU . 5.3 t-20 -61.18 -50.6 72.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -71.68 -24.8 61.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -58.81 -19.42 41.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -129.93 -53.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -25.13 62.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.87 -0.22 72.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -105.01 147.21 28.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.79 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -102.3 97.87 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -169.23 130.89 1.07 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.78 15.71 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.552 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.9 t -166.2 171.86 11.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.64 -69.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 75' ' ' TYR . 1.4 p -136.63 135.47 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.492 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.65 126.31 40.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.427 HG23 HD12 ' A' ' 74' ' ' ILE . 63.8 m -104.07 141.13 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -77.71 128.92 78.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.443 ' O ' ' HB3' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.03 107.02 2.39 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 0.8 OUTLIER -177.61 62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.372 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.496 ' C ' ' O ' ' A' ' 65' ' ' LEU . 5.4 tpt -29.08 -54.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 66' ' ' MET . 3.7 tt0 35.17 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.24 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -18.39 50.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.528 ' C ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -168.77 -67.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.528 HG22 ' C ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -166.04 -65.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 91.0 t80 41.97 35.82 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 65' ' ' LEU . . . -132.33 -136.59 3.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.911 ' HB2' HD11 ' A' ' 37' ' ' ILE . 12.3 pt-20 -135.6 120.21 18.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 0.804 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.724 ' O ' HD12 ' A' ' 37' ' ' ILE . 5.6 tt -104.92 142.56 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.782 ' CE2' HG21 ' A' ' 37' ' ' ILE . 49.7 m-85 -103.66 129.72 51.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 99' ' ' VAL . 3.0 t -122.03 152.06 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 81' ' ' VAL . 42.6 t -138.98 99.37 8.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.02 0.03 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -71.32 -55.85 7.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.579 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -75.53 -41.96 42.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 77' ' ' CYS . 61.8 t -53.34 -56.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 12.9 pt-20 -62.91 -47.47 83.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 9.4 tp10 -53.64 -36.56 62.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' ND2' HG22 ' A' ' 80' ' ' ILE . 12.3 m-80 -75.07 -35.94 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -72.52 -28.35 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -63.6 -34.39 77.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -84.8 -20.75 30.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.5 OUTLIER -109.5 12.31 24.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ALA . 7.8 t-20 43.49 27.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 88' ' ' PHE . 50.0 t30 -79.59 156.84 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.586 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.6 p -70.91 98.27 1.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 1.3 t80 -50.77 -30.36 13.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.7 pt-20 -73.18 -41.62 63.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.584 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -66.03 -49.76 66.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.4 -42.13 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.912 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -74.0 -36.62 64.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -57.12 -29.44 63.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.6 mt-10 -62.51 -56.71 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 96' ' ' LEU . 25.9 m -60.24 -25.58 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.517 HG11 HD11 ' A' ' 21' ' ' LEU . 25.2 t -69.71 -57.16 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.808 ' CD1' HG23 ' A' ' 130' ' ' VAL . 23.2 pt -74.55 -16.06 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 98' ' ' GLU . 11.4 t-80 -50.7 -32.44 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.36 -49.59 5.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 108' ' ' ALA . 69.4 mt -65.63 -54.37 28.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.802 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.1 -27.1 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.568 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -66.43 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.563 ' CD1' HG11 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -70.43 -15.96 62.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -58.87 -17.74 26.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.93 54.83 6.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 111' ' ' ASP . 40.2 p90 -57.02 -42.53 80.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.488 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 12.4 t70 -178.18 145.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -63.08 80.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.59 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 111' ' ' ASP . 18.0 tt0 64.14 115.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -101.53 56.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 72.85 -73.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 117' ' ' LYS . 4.6 t0 -170.69 73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 116' ' ' ASP . 2.9 tttt 84.26 -51.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.431 ' OD1' ' CD1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER 69.28 -65.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 117' ' ' LYS . 0.1 OUTLIER 78.73 -59.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -49.68 -52.83 28.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 1.4 mp0 -74.09 -50.36 19.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.529 ' HE1' HD13 ' A' ' 105' ' ' LEU . 23.9 tpp -52.78 -29.03 25.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 119' ' ' SER . 63.8 t80 -53.79 -48.59 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.14 -61.54 2.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.588 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 2.1 mttp -56.53 -29.41 61.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.535 ' O ' HD11 ' A' ' 101' ' ' ILE . 12.4 tt0 -76.06 -36.61 58.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -75.1 -17.4 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -59.34 5.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.588 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 18.0 m-85 -70.19 -37.55 75.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.808 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -54.47 -43.7 64.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 135' ' ' GLY . 2.0 tt0 -60.25 -50.13 74.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -57.72 11.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.793 HG21 HD23 ' A' ' 21' ' ' LEU . 85.6 t -60.95 -47.89 91.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.586 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.3 t90 -64.74 -13.67 55.84 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.53 -26.18 9.8 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.22 -62.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.736 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.2 m95 -56.3 -20.61 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -53.12 -32.28 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.6 m -73.26 -17.06 61.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.99 66.53 72.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -75.05 -86.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.7 OUTLIER -36.03 132.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 110.029 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.35 1.3 44.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 145' ' ' SER . 14.4 t70 -111.81 -56.24 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 144' ' ' ASP . 1.2 m 83.94 113.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.77 134.25 9.9 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.86 3.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 150.55 104.27 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 7.2 mttp 56.25 -172.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' VAL . 3.3 mmt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.52 0.2 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 2' ' ' ILE . 2.8 mp -96.46 136.72 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.47 111.71 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.57 HG21 ' CB ' ' A' ' 11' ' ' SER . 8.1 mt -86.74 125.47 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.688 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -139.09 158.05 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.07 -137.49 13.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -169.96 140.73 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.23 140.49 3.83 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -40.77 106.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 0.728 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.65 -31.21 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.57 ' CB ' HG21 ' A' ' 4' ' ' ILE . 5.6 t -68.75 -46.91 67.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.746 . . . . 0.0 110.048 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -32.36 73.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.879 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.28 -32.51 64.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.31 -52.38 14.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -53.3 -19.12 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -76.11 -49.36 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -109.25 37.91 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 2.7 pm0 -53.86 -30.43 45.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -65.82 -34.83 79.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 HG21 ' A' ' 133' ' ' VAL . 11.2 mt -80.42 -31.47 37.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -60.23 -22.84 63.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.52 -51.96 20.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.617 HG13 HG21 ' A' ' 104' ' ' ILE . 45.4 pt -66.75 -44.51 89.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG22 HG21 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -60.22 -43.66 93.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -68.93 -54.16 16.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -44.87 -44.35 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' CG ' ' CD1' ' A' ' 107' ' ' LEU . 9.5 tp10 -53.37 -52.16 60.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.613 HG23 ' H ' ' A' ' 30' ' ' GLY . 4.3 tp -145.48 -61.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.613 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 152.16 -55.2 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -120.03 120.25 35.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 HD22 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -135.5 -166.87 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 80.0 m-70 -156.25 110.93 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.1 t -125.37 111.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m-80 -95.4 122.76 38.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.7 t -113.91 128.77 70.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.956 HD13 ' CD1' ' A' ' 75' ' ' TYR . 2.6 mp -107.85 112.54 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 12.1 mt -85.24 113.43 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.862 ' CG2' HD12 ' A' ' 44' ' ' ILE . 17.4 m -138.56 138.46 42.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -75.68 -164.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 44' ' ' ILE . 28.9 tt0 -72.48 -52.23 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -27.05 62.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -74.41 -32.15 62.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.862 HD12 ' CG2' ' A' ' 39' ' ' VAL . 3.4 tt -87.12 -28.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.97 -48.63 32.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -80.02 -49.43 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.811 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -46.01 -30.16 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 8.0 t-20 -65.55 -56.83 10.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.1 pt20 -71.13 -23.6 62.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -48.91 -25.35 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.98 -50.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' ASN . 15.7 mmt180 -71.36 -22.1 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 75.07 -1.43 55.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -98.02 134.74 40.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.64 98.55 10.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -174.31 133.07 0.53 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.45 20.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.437 ' CG2' HD12 ' A' ' 61' ' ' LEU . 4.2 t -160.86 168.31 24.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 77' ' ' CYS . 22.1 m-20 -60.38 -68.14 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 76' ' ' VAL . 14.9 p -137.32 135.74 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.586 HD13 ' CG1' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.41 130.6 42.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.6 m -108.74 148.65 30.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.384 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.777 ' HB3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.24 157.02 78.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.733 ' O ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.021 HD11 HG23 ' A' ' 70' ' ' VAL . 0.5 OUTLIER 168.57 -51.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 65' ' ' LEU . 0.2 OUTLIER 28.43 68.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -116.03 -177.23 3.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.57 -32.58 51.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -137.39 85.83 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.021 HG23 HD11 ' A' ' 65' ' ' LEU . 3.5 p -38.57 -49.52 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 81.5 t80 36.67 32.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.493 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.49 -145.29 7.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.946 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.7 pt-20 -121.83 120.44 34.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.642 ' O ' HD12 ' A' ' 37' ' ' ILE . 19.1 tt -107.71 134.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.956 ' CD1' HD13 ' A' ' 37' ' ' ILE . 45.4 m-85 -96.68 139.6 32.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.059 HG11 HG21 ' A' ' 99' ' ' VAL . 31.1 t -133.98 152.04 33.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 59' ' ' ASP . 24.7 p -142.99 104.23 5.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 108.305 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -74.97 4.2 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -74.65 -53.37 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.69 -37.78 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.9 t -59.85 -57.02 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 83' ' ' GLU . 9.2 pt-20 -58.96 -47.38 85.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' N ' ' CG ' ' A' ' 82' ' ' GLU . 0.4 OUTLIER -52.44 -32.8 41.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.345 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.7 OUTLIER -79.52 -47.12 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -59.25 -27.96 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -61.07 -40.99 95.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 4.3 pt-20 -83.97 -21.29 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -105.5 13.27 30.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 111.055 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 37.77 32.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 53.5 t30 -86.04 156.26 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.1 p -80.16 97.5 6.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -44.46 -30.19 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.592 ' O ' HD12 ' A' ' 97' ' ' LEU . 5.6 pt-20 -60.65 -48.01 83.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.52 -44.78 77.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -57.26 -41.05 78.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -77.85 -37.15 49.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.662 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -56.4 -29.17 61.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' OE1' ' NE2' ' A' ' 126' ' ' GLN . 23.9 mt-10 -66.2 -56.02 13.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.059 HG21 HG11 ' A' ' 76' ' ' VAL . 3.2 m -55.49 -23.46 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.627 HG11 HD11 ' A' ' 21' ' ' LEU . 10.9 t -74.8 -58.16 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.828 ' CD1' HG23 ' A' ' 130' ' ' VAL . 26.7 pt -68.77 -16.29 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 98' ' ' GLU . 1.7 t-160 -52.59 -38.25 59.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.29 -44.8 9.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.617 HG21 HG13 ' A' ' 24' ' ' ILE . 74.9 mt -66.2 -55.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -50.72 -36.03 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -54.12 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.79 HD22 HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -59.19 -30.08 67.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -64.31 -28.27 69.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.72 145.6 15.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 106' ' ' HIS . 9.4 p90 -169.22 -172.96 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -52.65 137.43 30.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -56.68 104.0 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.97 115.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.474 ' O ' ' CG ' ' A' ' 114' ' ' PHE . 23.5 t80 -125.22 68.57 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 0.4 OUTLIER -74.83 126.8 31.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER 74.82 154.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.0 23.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -154.45 -58.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.0 t -40.86 126.38 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -47.27 17.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.49 -39.52 76.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -46.45 82.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.3 -37.25 62.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.64 -39.64 94.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -55.9 -56.23 23.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' NE2' ' OE1' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -61.71 -28.5 69.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 126' ' ' GLN . 0.3 OUTLIER -68.25 -33.67 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -58.32 -61.65 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.585 ' HB2' HD12 ' A' ' 101' ' ' ILE . 24.3 m-85 -64.6 -38.21 90.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.828 HG23 ' CD1' ' A' ' 101' ' ' ILE . 2.2 t -54.63 -55.02 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.11 -24.52 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -50.42 10.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.72 HG21 HD23 ' A' ' 21' ' ' LEU . 98.2 t -74.0 -43.07 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -68.02 -13.28 62.06 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.92 -26.37 8.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.551 1.157 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -88.35 -61.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.61 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.7 m95 -54.51 -22.66 13.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -50.07 -51.19 44.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.6 m -51.0 -21.85 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -123.31 76.05 52.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 143' ' ' GLU . 18.2 Cg_endo -75.03 -171.67 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.4 t 67.31 -67.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.029 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 141' ' ' PRO . 2.1 mt-10 -177.54 171.37 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -69.56 107.8 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -177.97 159.64 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 23.8 t0 50.25 97.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 62.93 5.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.763 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 40.5 69.1 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 87.33 5.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' C ' HD12 ' A' ' 2' ' ' ILE . 1.9 ttm . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.438 0.161 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.3 mp -109.1 140.95 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.08 117.58 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.462 HG21 ' HA ' ' A' ' 11' ' ' SER . 2.2 mt -108.76 116.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -133.19 163.84 28.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -169.42 32.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -139.48 136.73 34.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 139.91 139.82 3.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -38.41 112.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.471 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.56 -25.85 0.33 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' HG21 ' A' ' 4' ' ' ILE . 28.2 t -67.92 -55.58 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -27.04 56.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 1.9 tp -67.78 -34.36 76.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.08 -44.41 60.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -51.67 -28.38 14.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 1.2 m-20 -60.86 -50.14 74.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 ' CD2' ' CE2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.41 46.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.77 -58.76 3.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -53.91 -28.84 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.59 -40.69 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.676 HD22 HG12 ' A' ' 100' ' ' VAL . 2.2 mt -80.49 -36.73 32.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -53.68 -21.01 6.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.7 mt-10 -74.88 -47.7 28.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG13 HD13 ' A' ' 104' ' ' ILE . 41.1 pt -77.75 -26.7 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG22 HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -67.63 -47.82 78.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 14.7 ttmt -64.96 -45.76 84.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -60.4 -43.36 96.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.72 ' OE1' HD12 ' A' ' 107' ' ' LEU . 1.2 tt0 -45.94 -55.32 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 30' ' ' GLY . 15.4 tt -147.61 -52.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 29' ' ' ILE . . . 133.92 -41.91 1.42 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.71 104.71 9.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' C ' ' CD2' ' A' ' 33' ' ' HIS . 12.5 p -171.02 162.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.585 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 3.1 m-70 -152.86 135.05 14.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.592 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 t -106.26 133.98 49.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' CA ' HD21 ' A' ' 5' ' ' LEU . 2.1 m120 -99.9 107.31 19.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 0.8 OUTLIER -100.81 129.36 51.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.858 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.2 mp -107.45 112.0 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD22 ' HA3' ' A' ' 10' ' ' GLY . 7.9 mt -78.95 119.73 22.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.666 HG23 ' HB ' ' A' ' 44' ' ' ILE . 25.9 m -151.14 136.25 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -74.19 -165.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HA ' HG22 ' A' ' 44' ' ' ILE . 18.6 tt0 -73.46 -41.57 63.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -30.21 62.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -77.34 -40.11 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.349 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' HG23 ' A' ' 39' ' ' VAL . 2.1 tt -77.16 -34.3 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -50.12 -46.89 54.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' GLN . 4.5 mt-10 -78.52 -48.75 14.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.684 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.48 -34.13 7.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.636 ' ND2' HD11 ' A' ' 61' ' ' LEU . 8.4 t-20 -66.07 -51.5 57.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -69.84 -24.65 63.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 46' ' ' GLU . 33.2 mt-30 -57.19 -22.48 40.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -129.34 -51.21 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -70.34 -24.37 62.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.94 -2.29 75.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -106.05 145.06 31.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 1.3 t0 -102.83 94.26 5.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.1 ptt85 -175.43 137.11 0.53 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.63 28.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.557 1.819 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -144.4 13.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 58' ' ' THR . 1.5 t0 81.74 -50.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.523 HG23 HG22 ' A' ' 76' ' ' VAL . 12.3 p -155.69 130.04 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.636 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -95.78 132.5 40.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 21.4 m -114.58 150.91 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -86.91 137.9 33.2 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.2 Cg_endo -74.96 107.78 2.56 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 63' ' ' PHE . 2.2 pt? -174.88 137.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.0 84.66 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -133.31 -175.99 3.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.529 ' C ' HD11 ' A' ' 107' ' ' LEU . 1.1 mt-10 -100.36 57.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.891 ' H ' HD21 ' A' ' 107' ' ' LEU . 2.6 t70 179.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD23 ' A' ' 107' ' ' LEU . 1.8 t 67.16 -68.72 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.622 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 8.7 p90 32.77 37.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -100.93 -161.65 27.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 3.3 mt-10 -125.6 132.35 52.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.697 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -126.44 143.65 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.858 ' CD1' HD13 ' A' ' 37' ' ' ILE . 29.8 m-85 -103.49 139.86 38.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.099 HG11 HG21 ' A' ' 99' ' ' VAL . 14.9 t -130.88 146.88 33.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 80' ' ' ILE . 28.8 p -136.97 102.96 9.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.352 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.2 Cg_endo -75.0 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.989 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -59.22 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.596 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.5 mp -68.12 -41.07 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 60.2 t -52.68 -44.07 45.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.9 OUTLIER -56.06 -52.73 63.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.24 -36.72 75.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -72.53 -34.78 67.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 1.024 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.31 -28.17 47.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 82' ' ' GLU . 4.0 mtt180 -68.77 -36.25 78.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.95 -19.09 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.48 8.06 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 52.55 20.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 1.024 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 41.2 t30 -80.61 138.7 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.901 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.57 104.63 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -38.64 -29.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.581 ' HB3' ' CE3' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -60.11 -57.43 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.901 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -53.61 -43.43 68.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.2 tt0 -72.51 -22.47 61.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.045 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -74.64 -59.19 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.846 HD13 ' CG1' ' A' ' 133' ' ' VAL . 1.3 pp -58.4 -28.62 65.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -55.83 -37.09 68.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.099 HG21 HG11 ' A' ' 76' ' ' VAL . 5.6 m -75.04 -26.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.676 HG12 HD22 ' A' ' 21' ' ' LEU . 42.0 t -68.4 -57.41 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 130' ' ' VAL . 12.3 pt -62.05 -16.34 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 22.7 t-80 -51.17 -39.6 56.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.37 -52.7 4.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.464 HD13 HG13 ' A' ' 24' ' ' ILE . 97.3 mt -57.49 -55.21 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.702 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -51.75 -43.12 62.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.63 ' CG ' ' CE2' ' A' ' 110' ' ' TYR . 4.5 m170 -54.78 -61.22 2.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.891 HD21 ' H ' ' A' ' 69' ' ' ASP . 0.2 OUTLIER -62.14 -22.64 66.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -60.29 -26.39 66.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 151.56 109.36 0.43 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.63 ' CE2' ' CG ' ' A' ' 106' ' ' HIS . 0.1 OUTLIER -177.97 163.05 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.757 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.17 170.09 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -51.45 100.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.584 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -177.45 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 122' ' ' MET . 42.8 m-85 -87.19 72.4 9.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 116' ' ' ASP . 20.9 pt-20 -116.0 -44.2 2.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -56.76 164.6 1.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.4 69.73 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -145.09 -63.4 0.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.0 m 43.27 82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.41 -54.86 4.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -77.24 -42.59 36.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.549 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 34.6 tpp -58.18 -28.69 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -51.56 -45.69 63.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -56.62 -56.21 24.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.582 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 12.1 mttp -61.48 -31.74 71.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.86 -33.48 66.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -73.73 -28.11 61.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -58.93 5.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 29.0 m-85 -68.33 -41.97 80.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.912 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -54.76 -42.37 61.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.95 -35.4 80.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -47.38 47.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.846 ' CG1' HD13 ' A' ' 97' ' ' LEU . 71.6 t -71.27 -55.27 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.577 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 12.3 t90 -63.14 -14.86 53.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.966 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.5 -29.97 25.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -87.57 -55.9 3.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 0.753 . . . . 0.0 110.335 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 15.9 m0 -59.49 -20.13 53.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 107.99 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -53.24 -28.54 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.4 m -78.51 -12.2 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.439 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -136.41 63.06 46.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -75.0 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.497 ' O ' ' O ' ' A' ' 143' ' ' GLU . 0.5 OUTLIER -67.71 -44.06 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 142' ' ' SER . 0.5 OUTLIER 35.38 95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 144' ' ' ASP . 6.2 p-10 46.18 94.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -172.84 70.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.2 134.85 19.02 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -55.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.11 86.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 150' ' ' ARG . 0.1 OUTLIER -178.9 143.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 149' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' O ' ' CG ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -129.22 140.36 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.72 119.27 33.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -111.13 105.81 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.857 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -120.31 163.93 17.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.8 -152.65 22.55 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.558 1.161 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -157.5 146.76 19.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.09 136.14 3.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -40.8 106.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 159.6 -26.96 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 t -55.71 -54.41 44.67 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.68 -42.99 81.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -53.72 -29.49 39.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.27 -49.62 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -51.48 -20.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -73.8 -50.81 18.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -111.87 41.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -40.38 41.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -76.93 -22.5 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.69 -35.19 80.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.869 ' O ' HG22 ' A' ' 25' ' ' VAL . 3.0 mt -79.57 -27.59 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mt-10 -60.27 -18.87 52.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.67 -55.28 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 21' ' ' LEU . 17.2 pt -51.42 -50.34 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 m -56.79 -37.7 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -62.76 -49.99 72.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -53.01 -44.25 67.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' OE2' HG22 ' A' ' 29' ' ' ILE . 1.2 tm-20 -68.31 -61.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.294 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.595 HG22 ' OE2' ' A' ' 28' ' ' GLU . 12.5 tt -151.27 -53.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 106.09 -20.66 35.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.74 76.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 107' ' ' LEU . 1.8 p -137.83 173.41 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.492 ' H ' HG22 ' A' ' 32' ' ' VAL . 29.1 m-70 -153.57 107.46 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.547 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -110.84 105.5 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.857 ' HB3' HD21 ' A' ' 5' ' ' LEU . 4.0 m-20 -91.53 116.76 29.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.42 135.46 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.894 HD11 ' HB2' ' A' ' 73' ' ' GLU . 3.5 mp -112.71 107.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 7' ' ' GLU . 11.6 mt -80.25 120.4 24.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' HB ' ' A' ' 44' ' ' ILE . 19.9 m -143.85 139.86 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.697 ' O ' HG22 ' A' ' 44' ' ' ILE . 91.4 p -72.76 -167.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 44' ' ' ILE . 60.4 tt0 -74.78 -41.25 60.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' HA ' ' CE ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -74.39 -28.97 61.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -80.55 -39.53 27.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.803 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.8 tt -72.13 -48.3 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 7.8 pttp -48.05 -48.06 33.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.55 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 2.4 mt-10 -73.92 -50.2 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.749 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -48.84 -43.17 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.3 t-20 -51.92 -39.66 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -82.45 -24.83 34.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -59.82 -22.07 61.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -129.03 -52.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 5.5 tpt180 -70.81 -25.61 62.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.07 -7.36 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -95.71 140.51 30.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -99.11 95.55 7.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -173.95 122.57 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.56 18.07 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 t -162.54 171.65 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.46 -73.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.813 HG23 HG22 ' A' ' 76' ' ' VAL . 3.1 p -132.56 139.93 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD13 HG13 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -100.72 130.64 46.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -105.59 135.82 46.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.679 ' O ' HD23 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -78.47 133.62 63.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 63' ' ' PHE . 1.2 pt? -171.61 33.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.0 mtp -41.56 96.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 31.2 mt-10 -127.68 -175.01 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -37.97 88.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -142.9 87.93 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -43.78 134.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 11.6 p90 -156.56 38.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.12 -137.38 9.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.894 ' HB2' HD11 ' A' ' 37' ' ' ILE . 6.9 pt-20 -131.17 114.18 14.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.851 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.3 pp -103.12 152.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.702 ' CE1' HD13 ' A' ' 37' ' ' ILE . 5.6 m-85 -112.4 135.37 53.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.858 HG11 HG21 ' A' ' 99' ' ' VAL . 55.0 t -127.31 154.96 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.942 ' SG ' HD12 ' A' ' 80' ' ' ILE . 9.0 t -142.04 98.56 6.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 108.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.95 0.24 9.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -57.71 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.942 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.7 mp -69.46 -41.01 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 89.9 t -52.8 -51.23 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 86' ' ' ARG . 13.3 tt0 -62.76 -42.02 99.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.53 -49.23 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' OD1' HG22 ' A' ' 80' ' ' ILE . 8.0 m120 -68.89 -28.47 66.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -76.97 -27.97 54.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 82' ' ' GLU . 9.8 mtp180 -63.06 -52.0 64.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -72.04 -36.79 69.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' ASN . 9.6 t80 -91.74 12.28 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.57 36.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 85' ' ' ALA . 16.4 t30 -80.38 156.1 26.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.6 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 25.6 m -74.71 97.38 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -52.53 -28.24 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -72.35 -57.22 4.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.576 ' HB2' ' CE3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -58.32 -38.96 78.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -58.12 -52.09 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -68.91 -27.91 66.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.499 HD22 ' HB2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 102' ' ' HIS . 11.8 mt-10 -66.48 -55.44 15.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.858 HG21 HG11 ' A' ' 76' ' ' VAL . 3.9 m -58.6 -26.84 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 96' ' ' LEU . 14.1 t -64.83 -57.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.864 ' CD1' HG23 ' A' ' 130' ' ' VAL . 42.2 pt -77.81 -15.81 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' GLU . 8.2 t60 -51.08 -28.62 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.24 -51.93 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.481 HG12 ' CG1' ' A' ' 25' ' ' VAL . 49.2 mt -67.23 -54.4 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.351 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.734 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -48.23 -27.18 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 19.4 t-160 -69.19 -51.42 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.614 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.712 ' CD2' HG21 ' A' ' 32' ' ' VAL . 2.6 pp -82.57 3.95 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -74.84 -26.66 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.538 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . -177.16 -152.88 10.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.714 ' CE2' ' CE ' ' A' ' 122' ' ' MET . 0.2 OUTLIER 68.04 160.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -173.84 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 43.7 p-80 -105.26 76.93 1.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 63.81 134.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.78 4.81 11.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -126.74 156.81 40.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 118' ' ' ASN . 5.1 t70 177.26 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 65.86 -74.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' ASP . 4.7 p30 -115.69 135.12 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.94 75.84 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -54.01 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -61.26 -38.14 85.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.714 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 1.9 mmt -60.64 -51.04 71.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -73.4 -29.35 62.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.3 -62.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -24.92 63.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HB2' HD22 ' A' ' 105' ' ' LEU . 14.0 tt0 -77.28 -39.08 49.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.46 -25.57 64.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.49 -57.03 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 133' ' ' VAL . 5.5 m-85 -73.01 -40.22 65.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.864 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -56.14 -42.68 73.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.13 -40.66 71.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.534 HG12 HD22 ' A' ' 17' ' ' LEU . 57.1 t -78.72 -39.2 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CZ2' HG21 ' A' ' 91' ' ' THR . 10.2 t90 -76.62 -13.53 60.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.2 -30.42 24.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -87.52 -57.92 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.802 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.56 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 4.2 m95 -56.02 -20.64 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -48.61 -35.42 13.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.0 m -59.3 -15.14 14.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -117.41 84.43 18.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -75.03 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 141' ' ' PRO . 33.6 t -38.01 -52.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.998 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -152.21 158.74 43.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -41.42 141.34 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t 178.26 121.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.54 150.61 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -45.96 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.8 45.11 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 73.79 137.77 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' CE ' ' HA ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.503 0.192 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.86 156.71 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.8 110.62 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 mt -104.19 107.14 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -128.49 164.78 22.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.03 -42.99 3.19 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 60.37 145.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.53 163.44 11.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 78' ' ' PRO . 1.5 tttt -40.11 104.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.587 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 138.32 -26.97 2.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HD13 ' A' ' 38' ' ' LEU . 6.4 p -56.66 -49.77 74.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 0.746 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -30.2 65.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.017 HD21 HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -65.61 -29.43 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -73.68 -50.88 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -52.05 -21.45 3.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -73.05 -45.72 55.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -113.12 36.45 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.83 -58.7 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 7.1 mt-10 -53.08 -40.66 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' NZ ' ' OE2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -54.92 -37.53 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' CD1' HD11 ' A' ' 14' ' ' LEU . 7.1 mt -80.45 -30.42 37.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' OE1' ' N ' ' A' ' 1' ' ' MET . 16.8 mt-10 -65.88 -20.16 66.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 3.4 mt-10 -75.88 -52.35 10.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.009 HD12 HG21 ' A' ' 104' ' ' ILE . 16.5 pt -61.89 -41.37 90.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.63 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.1 -36.22 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER -68.94 -53.03 23.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -55.74 -52.71 62.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -51.94 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG23 ' H ' ' A' ' 31' ' ' ASP . 12.5 tt -144.56 -53.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LYS . . . 153.03 -29.94 0.81 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.511 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 10.2 t70 -168.39 130.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.658 HG21 HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -137.45 -176.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.64 ' N ' HG13 ' A' ' 32' ' ' VAL . 25.8 m-70 -135.54 113.84 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.78 115.44 48.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 73' ' ' GLU . 12.1 m-20 -93.52 96.17 9.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.46 127.32 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.949 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.5 mp -109.42 107.52 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 11' ' ' SER . 13.7 mt -89.18 112.98 24.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG23 ' HB ' ' A' ' 44' ' ' ILE . 30.3 m -136.95 141.98 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.429 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 22.6 p -68.35 -166.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.637 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.2 tt0 -74.04 -52.84 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.04 -27.05 67.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -73.78 -43.73 58.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.795 ' HB ' HG23 ' A' ' 39' ' ' VAL . 1.2 tt -76.67 -34.08 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -46.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -79.01 -44.99 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.8 -30.41 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.74 -56.31 18.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 12.7 pt20 -68.64 -23.52 64.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.98 -22.42 49.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HE2' HD11 ' A' ' 47' ' ' LEU . 36.8 m-85 -129.85 -54.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 ' O ' ' OE1' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.61 -24.23 62.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 80.88 -11.94 38.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 52' ' ' ARG . 7.8 mp0 -87.09 145.17 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -101.33 95.14 6.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -173.87 128.86 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.1 15.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.597 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.3 t -155.19 176.2 12.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.382 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -70.69 -54.93 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.0 p -151.76 135.46 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.54 140.14 30.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.5 t -126.1 151.11 47.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.404 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.768 ' O ' HD23 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -82.34 142.98 47.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.97 109.22 2.89 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 63' ' ' PHE . 1.6 pt? -173.8 -42.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.54 ' HE1' ' CB ' ' A' ' 114' ' ' PHE . 7.2 mmm 27.4 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -139.11 -179.67 5.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -51.61 68.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.464 ' HB3' HD23 ' A' ' 107' ' ' LEU . 10.6 m-20 -119.02 75.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.862 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.1 p -35.93 -64.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.72 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER 49.11 16.73 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.862 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -90.1 -139.39 7.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.826 ' HB2' HD11 ' A' ' 37' ' ' ILE . 5.2 pt-20 -129.72 133.35 47.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 0.812 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 tt -124.38 131.68 72.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CD1' HD13 ' A' ' 37' ' ' ILE . 10.3 m-85 -95.54 121.67 37.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.723 HG22 ' HB ' ' A' ' 99' ' ' VAL . 72.9 t -105.86 152.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' A' ' 80' ' ' ILE . 22.4 t -142.47 97.71 6.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.488 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.04 2.78 6.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.777 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 0.1 OUTLIER -79.97 -55.44 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.677 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.8 mp -76.06 -26.47 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 77' ' ' CYS . 68.2 t -71.89 -56.57 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 83' ' ' GLU . 11.2 pt-20 -53.36 -45.08 69.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 82' ' ' GLU . 4.9 tp10 -59.41 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -79.65 -39.4 31.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.457 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -71.49 -32.21 68.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 5.0 mtp-105 -77.91 -32.24 51.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -52.33 -23.82 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -128.12 -78.66 0.57 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 88' ' ' PHE . 4.7 t-20 165.67 43.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 56.0 t30 -90.48 150.86 21.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 p -71.36 97.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.435 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.5 t80 -46.14 -37.71 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 97' ' ' LEU . 3.1 pt-20 -58.13 -46.12 86.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 0.9 OUTLIER -65.45 -46.12 81.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.1 tm-20 -56.35 -41.45 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.017 HD12 HD21 ' A' ' 13' ' ' LEU . 2.3 tm? -78.24 -29.57 48.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.715 HD21 HG12 ' A' ' 133' ' ' VAL . 0.2 OUTLIER -66.59 -37.5 85.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.26 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 16.8 mt-10 -57.97 -58.74 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.723 ' HB ' HG22 ' A' ' 76' ' ' VAL . 19.0 m -57.38 -24.27 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.612 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -74.05 -57.02 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.895 HD11 HG23 ' A' ' 130' ' ' VAL . 46.1 pt -70.87 -16.83 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' GLU . 6.0 t60 -52.02 -34.28 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.484 ' O ' HD12 ' A' ' 107' ' ' LEU . . . -80.65 -33.69 30.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.009 HG21 HD12 ' A' ' 24' ' ' ILE . 33.5 mt -80.4 -56.35 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 106' ' ' HIS . 1.6 pp -48.82 -50.81 32.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.896 ' N ' HD12 ' A' ' 105' ' ' LEU . 23.5 t-160 -59.51 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.658 HD22 HG21 ' A' ' 32' ' ' VAL . 2.4 mt -85.47 -25.04 27.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -59.62 -20.37 55.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 110' ' ' TYR . . . 74.3 155.76 4.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 109' ' ' GLY . 57.3 m-85 -160.32 -161.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -119.13 -41.01 2.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -42.3 162.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.609 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -99.3 5.33 46.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.54 ' CB ' ' HE1' ' A' ' 66' ' ' MET . 13.7 m-85 47.94 37.03 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.3 OUTLIER -174.75 175.89 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLU . 5.5 t70 60.24 117.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 tptt 78.27 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.94 169.53 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.0 p -112.75 83.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -78.74 -51.84 9.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -54.7 -44.15 73.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.455 ' HE3' ' CE2' ' A' ' 110' ' ' TYR . 22.4 tpp -56.03 -45.54 79.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -52.56 -32.14 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.42 -59.75 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -52.89 -39.74 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.433 ' OE1' ' CD2' ' A' ' 105' ' ' LEU . 6.8 tt0 -66.34 -37.78 86.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -72.79 -17.87 61.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -55.96 16.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.629 ' CD1' HG21 ' A' ' 24' ' ' ILE . 23.1 m-85 -72.67 -35.91 67.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.895 HG23 HD11 ' A' ' 101' ' ' ILE . 1.2 t -55.53 -51.27 59.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.472 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.0 mm-40 -69.34 -36.43 76.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -52.18 55.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.715 HG12 HD21 ' A' ' 97' ' ' LEU . 72.0 t -69.26 -34.76 64.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 11.2 t90 -78.86 -13.71 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 131' ' ' GLU . . . -50.68 -30.34 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -51.96 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.637 ' CD1' HD23 ' A' ' 17' ' ' LEU . 3.3 m95 -60.13 -21.17 61.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 134' ' ' TRP . 3.6 ttp180 -54.86 -38.67 67.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 23.5 m -63.6 -13.62 43.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.416 ' OD1' ' HA ' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -130.64 70.3 82.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 62.3 m 43.34 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.52 -1.19 23.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 145' ' ' SER . 26.7 t0 -168.29 72.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 144' ' ' ASP . 2.4 t 160.39 88.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -113.15 121.46 38.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -58.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 156.39 46.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -160.78 159.48 30.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.352 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' H3 ' HD12 ' A' ' 2' ' ' ILE . 3.9 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.517 0.199 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.2 mp -119.02 127.23 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.92 121.63 26.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 mt -109.4 106.42 20.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.867 HD11 HD12 ' A' ' 37' ' ' ILE . 1.1 pt? -125.19 162.0 25.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.22 -166.92 38.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -142.21 140.44 32.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.279 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 150.05 132.06 1.97 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -39.02 108.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 161.51 -26.94 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 1.3 t -56.47 -54.16 49.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.786 . . . . 0.0 109.982 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -44.8 63.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.996 HD21 ' CH2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -52.04 -28.78 18.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -77.55 -45.44 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -52.31 -20.27 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -73.81 -49.29 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.582 HD21 ' CE3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -107.6 38.15 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.55 -56.57 5.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.2 pt-20 -60.89 -29.76 69.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' CE ' ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -55.11 -42.34 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -77.07 -28.48 54.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.8 mt-10 -67.23 -18.73 65.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.7 mt-10 -76.91 -52.68 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.3 pt -52.71 -44.21 46.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.629 HG12 HG23 ' A' ' 104' ' ' ILE . 34.8 m -70.23 -48.79 59.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' VAL . 2.6 tppp? -56.05 -42.0 75.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -62.1 -48.3 80.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -66.98 -61.02 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 30' ' ' GLY . 6.6 tp -147.05 -53.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' VAL . . . 89.09 48.54 3.79 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.43 57.55 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' N ' ' A' ' 33' ' ' HIS . 10.4 p -123.45 166.15 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 24.0 m-70 -140.07 102.25 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.27 115.13 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' HB3' HD21 ' A' ' 5' ' ' LEU . 3.0 m120 -95.07 124.19 38.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.913 ' C ' HD13 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -102.17 138.03 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.949 HG21 ' CE2' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -110.82 107.91 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 23.1 mt -81.09 109.23 15.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.524 HG23 HD12 ' A' ' 44' ' ' ILE . 31.8 m -142.01 141.15 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.405 ' C ' ' SG ' ' A' ' 77' ' ' CYS . 0.5 OUTLIER -83.51 -169.59 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' HA ' HD11 ' A' ' 80' ' ' ILE . 32.0 tt0 -67.55 -47.52 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.88 -29.16 61.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -36.38 54.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.524 HD12 HG23 ' A' ' 39' ' ' VAL . 7.7 tt -80.7 -29.73 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -44.55 61.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -78.77 -49.86 12.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.619 HD11 ' CE2' ' A' ' 75' ' ' TYR . 1.9 tm? -45.59 -36.75 4.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -70.19 -43.9 69.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 52.1 mt-30 -70.66 -24.02 62.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.73 -23.03 49.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -130.29 -53.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -74.37 -17.62 60.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.75 19.38 9.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 15.2 mt-30 -114.29 144.84 42.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.28 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.44 94.27 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -175.62 128.39 0.38 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.09 32.06 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -142.86 12.43 1.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 58' ' ' THR . 1.6 m-20 73.34 -54.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG21 ' HB ' ' A' ' 99' ' ' VAL . 14.1 p -143.13 128.06 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -95.84 140.5 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 m -115.35 146.1 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.46 ' HB3' HD22 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -83.48 138.24 41.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.28 2.45 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.8 pt? -176.05 113.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.46 46.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.5 mm-40 -73.3 -173.23 1.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' GLU . 7.3 mm-40 -38.64 -51.72 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.65 -66.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.765 ' O ' HD11 ' A' ' 65' ' ' LEU . 2.6 p -178.88 -61.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.64 ' H ' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 40.51 34.93 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.613 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -114.79 -152.38 10.33 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.879 ' HB2' HD11 ' A' ' 37' ' ' ILE . 8.9 pt-20 -123.62 124.13 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 20.4 tt -107.18 125.25 63.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 37' ' ' ILE . 29.2 m-85 -84.7 131.14 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.914 HG11 HG21 ' A' ' 99' ' ' VAL . 2.1 t -121.69 154.55 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.796 ' O ' HG23 ' A' ' 81' ' ' VAL . 44.8 t -149.98 105.65 3.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 108.297 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB3' HD13 ' A' ' 96' ' ' LEU . 18.1 Cg_endo -75.05 -2.16 12.18 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -61.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.584 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -68.52 -40.05 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 77' ' ' CYS . 63.8 t -52.86 -49.35 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -65.05 -46.27 81.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -60.08 -39.47 86.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -41.55 63.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.36 -27.12 45.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -70.35 -53.21 17.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 1.8 pt-20 -72.72 -28.77 62.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.4 OUTLIER -101.96 9.75 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.3 t-20 39.86 30.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.775 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 7.0 t30 -85.71 165.94 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.3 p -94.6 97.28 10.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.459 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -49.31 -38.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.665 ' CB ' ' CE2' ' A' ' 137' ' ' TRP . 0.0 OUTLIER -56.44 -50.86 70.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.6 ' HG3' ' CE3' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -70.64 -47.17 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 99' ' ' VAL . 2.1 tt0 -53.0 -22.52 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.086 ' O ' HG22 ' A' ' 99' ' ' VAL . 2.8 tp -86.09 -58.56 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.919 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.1 pp -56.48 -26.6 54.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -68.51 -33.88 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.086 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -66.49 -24.03 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.813 HG11 HD13 ' A' ' 21' ' ' LEU . 34.5 t -73.92 -57.51 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.625 ' CD1' HG23 ' A' ' 130' ' ' VAL . 19.6 pt -58.74 -16.83 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -51.73 -43.88 63.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.598 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.25 -50.85 5.57 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.629 HG23 HG12 ' A' ' 25' ' ' VAL . 86.1 mt -55.57 -53.86 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -55.25 -35.72 65.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.359 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 110' ' ' TYR . 8.3 t-160 -51.46 -38.01 51.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.558 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -26.13 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.94 -18.2 31.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 110' ' ' TYR . . . 160.52 169.77 24.23 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.691 ' CD2' ' CE ' ' A' ' 122' ' ' MET . 0.0 OUTLIER 60.86 141.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.992 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -148.59 69.36 1.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' GLU . 49.5 t-80 -177.9 141.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.629 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -36.93 113.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 12.4 p90 -120.91 29.12 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -38.54 -53.4 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 48.2 p-10 174.71 81.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.3 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -44.21 -61.23 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.3 p 178.75 158.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.44 -20.93 53.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -65.99 -49.49 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.691 ' CE ' ' CD2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -57.82 -30.79 66.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -67.34 -55.02 15.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.13 -36.73 19.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER -52.56 -42.05 64.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 17.0 tt0 -54.48 -44.2 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -68.57 -20.92 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 125' ' ' LYS . 4.8 tttp -57.17 -58.96 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 7.4 m-85 -73.24 -34.75 66.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.625 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -59.64 -38.59 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -58.68 -46.68 86.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -51.73 53.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.919 ' CG1' HD13 ' A' ' 97' ' ' LEU . 52.4 t -62.02 -37.64 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.6 ' CE3' ' HG3' ' A' ' 94' ' ' LYS . 8.3 t90 -75.38 -12.77 60.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.53 -37.68 41.48 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.415 ' HB2' ' CE ' ' A' ' 20' ' ' LYS . 5.8 tt0 -87.56 -58.14 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.996 ' CH2' HD21 ' A' ' 13' ' ' LEU . 1.9 t90 -53.92 -21.2 7.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.033 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.568 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -54.92 -29.76 56.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.405 ' C ' ' HD3' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -64.31 -9.54 18.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.46 69.77 79.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -74.97 177.8 8.1 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 141' ' ' PRO . 14.0 m 46.3 -172.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -143.23 14.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 29.6 t0 69.83 74.19 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t -165.08 77.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.65 149.05 38.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.89 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.15 104.44 0.28 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 129.13 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 0.788 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.673 ' HE1' HG22 ' A' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.528 0.204 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.431 HD12 ' H3 ' ' A' ' 1' ' ' MET . 4.0 mp -95.99 157.57 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 133.78 51.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.268 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.09 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.785 HD11 HG12 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -111.19 162.49 14.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.94 -150.32 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.47 148.77 12.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.85 147.2 4.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.67 104.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.65 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 160.57 -34.61 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 90.7 p -55.51 -52.82 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -43.45 64.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.918 HD21 ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -50.7 -35.63 32.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.22 -52.82 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 18' ' ' LYS . 13.7 mt-10 -51.84 -20.44 2.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -74.55 -49.04 23.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.87 39.08 2.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -70.86 -52.49 19.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.83 -25.31 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.676 ' HB3' HG13 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -64.61 -40.66 95.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.76 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 mt -79.59 -28.02 41.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 4.9 mt-10 -63.33 -17.11 62.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.37 -54.43 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.7 pt -51.79 -47.94 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.836 HG11 HG21 ' A' ' 32' ' ' VAL . 3.0 m -62.79 -33.33 59.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.11 -49.96 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -36.94 85.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' HG2' HD12 ' A' ' 107' ' ' LEU . 33.6 tp10 -67.31 -61.49 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.591 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.9 tt -148.9 -60.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.626 ' O ' ' HE1' ' A' ' 1' ' ' MET . . . 141.16 -86.91 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -80.71 97.8 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.836 HG21 HG11 ' A' ' 25' ' ' VAL . 31.4 m -108.92 -169.09 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -150.52 98.78 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.58 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.9 t -117.61 104.15 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.736 ' OD1' HD22 ' A' ' 5' ' ' LEU . 1.9 m-80 -93.96 107.92 19.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.1 t -98.03 138.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.867 HD13 ' CD1' ' A' ' 75' ' ' TYR . 1.0 OUTLIER -114.17 110.43 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 11' ' ' SER . 9.5 mt -89.19 119.87 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.794 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.6 m -145.65 139.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 44' ' ' ILE . 1.4 m -72.4 -167.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HA ' HG22 ' A' ' 44' ' ' ILE . 31.1 tt0 -73.45 -49.09 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -78.6 -41.44 31.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.794 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.3 tt -74.6 -33.35 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -43.69 43.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.133 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.32 -48.74 14.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.2 tm? -46.28 -28.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.458 ' ND2' HD11 ' A' ' 61' ' ' LEU . 6.5 t-20 -74.73 -52.86 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HA ' ' CA ' ' A' ' 53' ' ' GLY . 44.8 mt-30 -60.63 -24.68 65.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -52.77 -33.03 46.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -127.5 -49.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -71.19 -17.97 62.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.06 17.25 9.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 9.9 mt-30 -114.89 142.68 46.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.17 94.16 6.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.18 130.09 0.42 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 163.49 35.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.456 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -143.27 10.62 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER 77.66 -51.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 75' ' ' TYR . 3.6 p -145.05 123.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD11 ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -95.91 123.11 39.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -128.53 121.44 28.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.363 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.415 ' O ' HD13 ' A' ' 65' ' ' LEU . 26.8 p90 -97.99 158.95 31.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.42 8.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.543 1.812 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -128.95 17.99 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' LEU . 18.8 mmt -32.92 96.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' GLU . 18.2 mm-40 -139.25 -173.29 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -36.2 -52.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.282 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.2 m-20 -158.53 86.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.812 HG22 ' N ' ' A' ' 71' ' ' TYR . 0.7 OUTLIER 32.27 -97.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.812 ' N ' HG22 ' A' ' 70' ' ' VAL . 2.9 m-85 46.53 46.82 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' C ' ' HG2' ' A' ' 73' ' ' GLU . . . -117.31 -133.8 5.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 3.2 mt-10 -140.59 160.42 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.666 ' C ' HD12 ' A' ' 37' ' ' ILE . 12.4 tt -147.27 123.73 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.867 ' CD1' HD13 ' A' ' 37' ' ' ILE . 64.4 m-85 -83.68 129.74 34.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.606 HG21 ' CG2' ' A' ' 99' ' ' VAL . 2.7 t -123.31 151.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' SG ' HD12 ' A' ' 80' ' ' ILE . 44.2 t -142.6 100.3 5.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -74.98 1.43 7.74 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -60.5 2.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.464 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.1 mp -70.56 -43.77 77.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 90.3 t -52.67 -42.24 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.05 -52.3 63.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -59.42 -33.64 71.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.98 -37.29 61.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -73.31 -28.92 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -67.15 -36.61 82.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.38 -20.88 39.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -112.27 13.02 20.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 40.1 30.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.446 ' N ' ' C ' ' A' ' 88' ' ' PHE . 43.1 t30 -76.43 171.68 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.552 HG21 ' CH2' ' A' ' 134' ' ' TRP . 1.2 p -86.76 98.31 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.512 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.2 t80 -48.55 -30.83 5.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -76.55 -38.11 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -67.61 -51.69 47.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 1.5 mm-40 -54.02 -42.94 69.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.918 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -73.07 -30.35 63.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' HIS . 64.0 mt-10 -58.41 -56.19 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.606 ' CG2' HG21 ' A' ' 76' ' ' VAL . 34.9 m -59.22 -23.05 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.499 HG22 ' CD2' ' A' ' 14' ' ' LEU . 2.1 t -75.99 -57.89 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.851 ' CD1' HG23 ' A' ' 130' ' ' VAL . 47.3 pt -68.68 -18.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -55.86 -43.51 77.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.5 -46.75 93.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.536 HD13 HG13 ' A' ' 25' ' ' VAL . 54.6 mt -69.39 -41.52 80.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -49.53 -39.58 34.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.359 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.603 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 18.8 m170 -54.17 -65.84 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.659 ' N ' HG11 ' A' ' 70' ' ' VAL . 4.5 pp -62.46 -29.22 70.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -58.18 -18.18 23.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.69 131.91 6.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' CE1' ' HA ' ' A' ' 106' ' ' HIS . 4.8 p90 -174.76 -173.42 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -80.39 87.39 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.7 m170 -40.2 152.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.579 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 115' ' ' GLU . 16.2 tt0 70.77 5.78 5.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.54 ' CD2' ' SD ' ' A' ' 122' ' ' MET . 3.2 p90 -36.37 -33.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -51.4 95.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 118' ' ' ASN . 13.1 t0 -176.81 95.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 -78.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 116' ' ' ASP . 2.3 t-20 178.95 168.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.33 150.3 35.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -80.21 -53.54 6.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.38 -46.35 73.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -59.12 -51.67 69.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 127' ' ' LYS . 18.2 t80 -61.04 -41.04 95.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.13 -58.54 6.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -61.0 -25.46 66.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.454 ' HG3' HD11 ' A' ' 101' ' ' ILE . 13.1 tt0 -79.29 -32.49 43.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -78.56 -17.24 56.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -60.26 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.425 ' CE2' ' HG ' ' A' ' 105' ' ' LEU . 6.0 m-85 -66.98 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -57.34 -53.66 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.479 ' N ' HG12 ' A' ' 130' ' ' VAL . 1.4 mm-40 -64.09 -33.29 75.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -51.12 29.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.723 HG21 HD23 ' A' ' 21' ' ' LEU . 97.9 t -71.54 -33.4 49.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 11.2 t90 -77.82 -13.9 59.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 107.97 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.92 -24.64 8.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -87.09 -63.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.529 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 6.1 m95 -55.86 -22.86 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -46.89 -42.33 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.3 m -51.92 -20.73 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.85 90.74 28.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.3 Cg_endo -74.98 -161.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 141' ' ' PRO . 2.8 t -35.24 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.75 18.85 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.2 122.36 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 72.9 p -134.19 173.28 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -168.21 90.71 0.65 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 64.1 6.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 150' ' ' ARG . . . -153.72 -84.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.39 30.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 148' ' ' GLY . 7.6 mmt85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.469 ' O ' ' CG ' ' A' ' 1' ' ' MET . 2.1 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.497 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 mp -121.24 156.87 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -95.87 112.89 24.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.63 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.506 HD21 ' CB ' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -119.26 165.23 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.59 -166.24 30.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -148.44 137.97 22.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 145.35 145.71 4.33 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -39.0 104.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.63 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 163.02 -31.73 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 p -55.76 -53.53 55.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.22 -41.48 57.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.951 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -48.7 -34.22 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -76.06 -48.22 21.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.02 -20.44 2.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -74.06 -51.41 15.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD22 HG12 ' A' ' 133' ' ' VAL . 0.3 OUTLIER -112.93 38.5 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -71.73 -59.31 2.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.68 -40.49 88.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -56.72 -30.05 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 133' ' ' VAL . 22.0 mt -81.62 -42.65 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 1' ' ' MET . 41.2 mt-10 -53.23 -20.71 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.1 mt-10 -68.37 -52.35 34.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CD1' HG21 ' A' ' 104' ' ' ILE . 16.0 pt -62.43 -39.42 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.714 HG23 HG23 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -70.5 -45.06 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 22' ' ' GLU . 10.4 tttm -67.96 -36.89 80.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.3 tttt -59.25 -52.55 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.464 ' HG2' ' CA ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -74.44 -55.96 5.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -173.92 104.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' ASP . . . -65.62 -160.04 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' GLY . 7.4 t70 39.14 63.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.684 ' HB ' HD13 ' A' ' 107' ' ' LEU . 12.0 m -106.92 -164.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CD2' ' HD1' ' A' ' 71' ' ' TYR . 35.3 m-70 -151.34 99.43 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.609 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 107' ' ' LEU . 3.4 t -125.03 103.23 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' CB ' HD21 ' A' ' 5' ' ' LEU . 2.6 m120 -96.3 104.03 15.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.702 HG22 HD11 ' A' ' 74' ' ' ILE . 2.2 t -96.72 127.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.03 HD13 ' CD1' ' A' ' 75' ' ' TYR . 4.1 mp -108.73 110.4 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.3 mt -84.71 110.97 19.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.756 ' CG2' HD12 ' A' ' 44' ' ' ILE . 31.4 m -134.94 136.25 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.828 ' HB3' HD13 ' A' ' 79' ' ' LEU . 5.0 m -68.39 -164.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 80' ' ' ILE . 28.1 tt0 -72.17 -50.61 26.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.33 -39.83 81.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.51 -42.28 96.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.756 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.8 tt -76.44 -32.66 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -45.2 40.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 2.6 mt-10 -79.34 -48.53 13.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 75' ' ' TYR . 1.2 tm? -45.33 -44.46 11.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 52' ' ' ARG . 4.8 t-20 -59.87 -38.77 83.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mt-30 -77.96 -22.66 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -65.08 -28.0 69.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -128.02 -55.95 1.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' CG ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 mpt_? -69.75 -13.59 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' CA ' ' HA ' ' A' ' 49' ' ' GLN . . . 53.64 28.23 37.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.537 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 12.0 pt20 -123.43 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 0.741 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.45 95.62 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.48 138.65 0.56 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.26 29.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.73 ' CG2' HD12 ' A' ' 61' ' ' LEU . 1.9 t -156.6 174.03 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -67.85 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.641 ' CG2' HG22 ' A' ' 76' ' ' VAL . 2.1 p -150.58 134.67 8.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -95.45 132.62 40.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 t -124.34 149.65 46.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.674 ' CE2' ' CG ' ' A' ' 73' ' ' GLU . 2.6 m-85 -80.94 142.44 52.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -75.01 107.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD11 ' O ' ' A' ' 70' ' ' VAL . 1.2 pt? -175.05 35.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.6 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -144.02 -177.2 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 3.3 mp0 -86.85 45.12 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.5 OUTLIER 158.43 83.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.778 HG22 ' H ' ' A' ' 72' ' ' GLY . 2.6 p -39.2 -61.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.665 ' H ' HG13 ' A' ' 70' ' ' VAL . 69.1 t80 46.83 23.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.778 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -120.02 -145.61 7.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.84 ' HB2' HD11 ' A' ' 37' ' ' ILE . 13.1 pt-20 -127.4 152.69 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.702 HD11 HG22 ' A' ' 36' ' ' VAL . 1.9 pp -139.86 133.31 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 1.03 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.5 m-85 -97.47 124.72 41.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.641 HG22 ' CG2' ' A' ' 60' ' ' VAL . 2.5 t -117.47 149.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.668 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.2 p -137.52 101.88 8.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -75.03 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.534 1.807 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.828 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -71.47 -52.09 20.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.571 HD11 ' HA ' ' A' ' 41' ' ' GLU . 2.9 mp -75.26 -40.47 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 77' ' ' CYS . 99.0 t -52.62 -54.22 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 86' ' ' ARG . 0.6 OUTLIER -52.77 -48.38 66.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -57.1 -40.72 77.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 15.7 m120 -68.22 -34.76 76.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -78.53 -27.49 45.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.2 mtp180 -70.35 -30.06 66.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.8 pt-20 -80.8 -25.71 37.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -118.45 18.46 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' A' ' 85' ' ' ALA . 3.5 t-20 40.91 28.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.596 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 39.5 t30 -73.88 154.53 39.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.561 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.1 OUTLIER -69.87 96.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CE1' HD12 ' A' ' 96' ' ' LEU . 2.3 t80 -45.06 -48.21 11.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.723 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -56.55 -48.72 76.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 2.1 ttpp -56.16 -53.16 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -52.9 -28.12 21.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.1 tt -82.85 -45.4 14.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 93' ' ' GLU . 3.3 mp -48.71 -29.06 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' HIS . 72.5 mt-10 -68.59 -55.49 11.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 96' ' ' LEU . 5.8 m -59.36 -23.75 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.567 HG23 HD23 ' A' ' 96' ' ' LEU . 77.9 t -77.92 -57.74 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 130' ' ' VAL . 3.2 pt -67.61 -16.75 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' GLU . 0.3 OUTLIER -52.77 -47.19 67.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.627 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.75 -40.7 85.09 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.714 HG23 HG23 ' A' ' 25' ' ' VAL . 60.0 mt -65.26 -48.53 83.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -51.39 -52.97 41.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.6 ' CD2' ' OH ' ' A' ' 110' ' ' TYR . 2.8 m-70 -49.85 -34.77 20.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.632 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD13 ' HB ' ' A' ' 32' ' ' VAL . 2.5 mt -85.9 -24.66 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 104' ' ' ILE . . . -72.19 -30.05 64.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 112.63 165.82 16.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 114' ' ' PHE . 14.0 m-85 -140.97 -168.87 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -118.46 170.17 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -43.37 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.585 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' ASP . 0.3 OUTLIER 58.46 114.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 110' ' ' TYR . 26.8 p90 -125.31 31.73 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -129.7 152.13 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 42.38 80.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 119' ' ' SER . 0.0 OUTLIER -177.87 162.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.75 -30.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 117' ' ' LYS . 70.2 m 40.17 65.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -81.71 -51.92 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -41.84 41.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.658 ' HE3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -50.2 -52.49 35.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -57.27 -37.31 72.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -65.25 -36.24 83.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -34.68 78.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -80.83 -30.73 35.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -78.51 -17.5 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -52.38 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.623 ' HB2' HD12 ' A' ' 101' ' ' ILE . 28.4 m-85 -71.64 -30.11 65.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.892 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -62.6 -57.67 11.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.54 ' N ' HG12 ' A' ' 130' ' ' VAL . 2.8 mt-10 -59.6 -46.01 90.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.63 -58.46 7.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 21' ' ' LEU . 75.2 t -65.98 -36.96 78.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.587 ' CZ3' ' HD3' ' A' ' 94' ' ' LYS . 9.9 t90 -65.28 -13.14 57.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 107.985 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -49.64 -29.81 12.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -87.5 -58.71 2.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.67 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 8.0 m95 -54.64 -21.56 10.95 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 2.0 mmm180 -60.54 -17.41 45.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 69.3 m -79.53 -10.69 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 141' ' ' PRO . 1.3 p30 -146.52 63.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 140' ' ' ASN . 18.2 Cg_endo -74.99 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -36.55 120.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -38.51 138.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.8 t70 67.94 109.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.7 m -98.11 175.57 6.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 t0 64.25 127.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -173.73 97.12 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.78 -154.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.014 ' H3 ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.47 0.176 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.2 mp -140.72 152.71 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.44 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . 0.3 OUTLIER -120.84 133.21 55.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.57 142.56 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.635 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.8 OUTLIER -148.8 162.74 39.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.18 -166.82 46.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 38' ' ' LEU . 1.3 mt-10 -134.01 143.52 48.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.03 129.51 1.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -39.81 105.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.814 ' HA2' HD23 ' A' ' 13' ' ' LEU . . . 164.69 -33.36 0.26 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.547 1.155 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -52.4 63.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -66.56 -38.42 87.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.814 HD23 ' HA2' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -54.3 -36.99 64.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -69.75 -49.68 50.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -51.37 -27.73 10.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 12' ' ' LYS . 11.2 m-20 -65.82 -44.49 85.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.715 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -114.63 38.43 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HG2' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -68.41 -58.04 4.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -30.01 70.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -38.97 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.834 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.2 mt -79.94 -32.71 40.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 5.3 mt-10 -60.43 -16.91 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 1.6 mt-10 -79.24 -54.15 6.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.545 HD11 ' CD1' ' A' ' 104' ' ' ILE . 17.3 pt -51.84 -51.52 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.5 -52.24 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -66.23 -25.22 66.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -60.57 -66.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -87.89 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.5 OUTLIER 179.64 121.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 1.035 ' O ' HG13 ' A' ' 32' ' ' VAL . . . -102.51 -98.85 2.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ASP . 27.8 t70 40.78 40.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.279 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.035 HG13 ' O ' ' A' ' 30' ' ' GLY . 33.0 m -125.32 -170.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.552 ' CD2' ' C ' ' A' ' 32' ' ' VAL . 24.7 m-70 -152.18 106.64 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.612 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.34 108.24 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' HB3' HD21 ' A' ' 5' ' ' LEU . 4.8 m120 -91.37 116.52 28.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.467 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.2 t -101.91 128.1 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.4 mp -108.74 115.86 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.25 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 7' ' ' GLU . 8.6 mt -87.81 114.76 24.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 44' ' ' ILE . 32.9 m -136.91 137.59 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.526 ' HB2' HD13 ' A' ' 79' ' ' LEU . 52.6 p -78.69 -165.57 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.958 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.516 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -70.36 -49.88 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.89 -27.13 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.4 -36.46 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.579 ' HB ' HG23 ' A' ' 39' ' ' VAL . 13.9 tt -81.75 -31.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -50.4 -47.73 56.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -78.81 -49.73 12.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.724 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.1 tm? -47.4 -26.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 7.3 t-20 -65.66 -54.62 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -72.29 -25.76 61.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -49.2 -27.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 6.7 m-85 -129.03 -45.36 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -71.46 -23.43 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.44 8.26 62.36 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 9.7 pt20 -114.36 143.14 45.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 0.729 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -93.17 97.83 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' CG ' ' HG3' ' A' ' 54' ' ' GLN . 0.7 OUTLIER -173.68 119.49 0.38 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.35 22.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.654 ' O ' HD13 ' A' ' 80' ' ' ILE . 1.7 t -156.81 173.49 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' OG1' ' A' ' 58' ' ' THR . 4.8 m-20 -66.81 -65.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 76' ' ' VAL . 4.3 p -134.87 135.57 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.41 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -95.3 127.29 41.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 t -95.42 137.81 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' O ' ' CD2' ' A' ' 65' ' ' LEU . 5.5 t80 -77.84 148.12 75.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 106.4 2.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CD2' ' O ' ' A' ' 63' ' ' PHE . 1.5 pt? -177.26 49.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 65' ' ' LEU . 5.0 tpt -34.6 98.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 68' ' ' GLU . 2.2 mt-10 55.06 -154.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER 87.59 39.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 1.0 OUTLIER 85.95 -44.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 75.25 124.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -173.87 33.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -96.56 -137.54 9.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.942 ' HB2' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -136.27 114.37 11.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 0.802 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.823 ' O ' HD12 ' A' ' 37' ' ' ILE . 7.4 tt -97.76 140.93 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CD1' HD13 ' A' ' 37' ' ' ILE . 20.5 m-85 -103.83 133.83 48.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.868 HG11 HG21 ' A' ' 99' ' ' VAL . 59.1 t -131.17 151.52 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.533 ' O ' HG23 ' A' ' 81' ' ' VAL . 46.7 t -135.99 104.36 9.73 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.08 9.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.506 1.792 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.91 -52.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.654 HD13 ' O ' ' A' ' 58' ' ' THR . 2.8 mt -74.82 -43.54 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.3 t -52.6 -50.66 39.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.4 -51.95 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.22 -29.99 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -78.35 -48.67 15.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.632 ' HB2' ' OE1' ' A' ' 95' ' ' GLU . . . -63.51 -27.85 69.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -67.53 -38.79 84.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -80.94 -25.33 37.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.454 ' C ' ' N ' ' A' ' 90' ' ' ASN . 1.2 t80 -107.97 13.99 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.3 t-20 39.51 30.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.526 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 45.8 t30 -80.96 157.8 25.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.819 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 0.6 OUTLIER -71.95 98.44 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 1.1 t80 -47.48 -44.27 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 97' ' ' LEU . 1.4 pm0 -62.4 -38.65 90.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 130' ' ' VAL . 0.3 OUTLIER -66.08 -47.68 73.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' OE1' ' HB2' ' A' ' 85' ' ' ALA . 1.5 tt0 -57.12 -43.03 81.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -73.53 -31.04 63.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -62.43 -31.03 71.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 102' ' ' HIS . 44.9 mt-10 -61.54 -56.7 17.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.868 HG21 HG11 ' A' ' 76' ' ' VAL . 4.2 m -61.88 -23.9 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.583 HG12 HD21 ' A' ' 21' ' ' LEU . 2.9 t -69.75 -57.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.781 ' CD1' HG23 ' A' ' 130' ' ' VAL . 36.9 pt -76.27 -16.37 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.727 ' HA ' HD23 ' A' ' 105' ' ' LEU . 15.3 t-80 -50.46 -28.05 7.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.88 -48.35 6.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.545 ' CD1' HD11 ' A' ' 24' ' ' ILE . 76.5 mt -69.47 -44.36 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.365 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -48.93 -44.25 40.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.586 ' O ' ' CE2' ' A' ' 110' ' ' TYR . 2.0 m-70 -53.78 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.641 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.855 ' HG ' HG11 ' A' ' 32' ' ' VAL . 1.9 tm? -55.54 -31.02 61.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -62.34 -30.25 71.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.549 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . 143.08 177.92 18.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.0 OUTLIER 176.27 -170.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -123.69 63.3 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.4 m80 71.41 -72.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.634 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' HG3' ' HE1' ' A' ' 66' ' ' MET . 10.0 tt0 -172.46 122.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -93.63 52.52 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.57 178.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.73 79.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -167.94 -62.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -162.53 164.9 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.442 ' OG ' ' HB3' ' A' ' 122' ' ' MET . 9.7 p -138.88 132.77 30.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 123' ' ' PHE . 0.0 OUTLIER -86.75 -54.91 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -56.8 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.777 ' SD ' HD13 ' A' ' 105' ' ' LEU . 43.7 tpp -55.73 -26.62 46.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.419 ' CB ' ' O ' ' A' ' 120' ' ' LYS . 2.4 t80 -50.54 -39.92 50.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -72.05 -57.76 4.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -41.66 71.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.243 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.551 ' HG3' HD11 ' A' ' 101' ' ' ILE . 16.3 tt0 -67.62 -37.52 82.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -69.19 -25.12 64.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -53.57 56.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.566 ' HB2' HD12 ' A' ' 101' ' ' ILE . 3.9 m-85 -73.39 -38.12 65.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.781 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.2 t -61.92 -42.69 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.89 -37.48 86.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -45.81 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 97' ' ' LEU . 94.3 t -72.39 -40.56 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.819 ' CZ2' HG21 ' A' ' 91' ' ' THR . 9.8 t90 -73.78 -13.65 60.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -51.01 -29.54 20.76 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.75 -59.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.715 ' CD1' HD23 ' A' ' 17' ' ' LEU . 10.9 m95 -54.67 -22.5 13.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 134' ' ' TRP . 8.2 mmm-85 -52.07 -34.81 45.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 11.4 m -69.9 -14.53 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.97 69.18 64.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.2 Cg_endo -74.98 -87.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.4 OUTLIER -38.4 152.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.8 13.4 19.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.35 132.08 52.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.81 88.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.21 147.95 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -48.84 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.492 1.785 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 141.82 52.29 0.04 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -163.79 150.01 11.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 0.754 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.699 ' C ' HD12 ' A' ' 2' ' ' ILE . 21.9 ttp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.699 HD12 ' C ' ' A' ' 1' ' ' MET . 4.7 mp -138.82 157.88 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 4.7 mtt-85 -96.69 114.62 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.3 mt -102.03 106.28 19.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.748 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -126.76 166.47 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.82 -170.05 33.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.46 132.68 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 143.14 141.79 3.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -38.96 115.91 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.73 -37.57 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.476 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 42.0 t -57.9 -54.11 50.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.032 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -72.23 -43.2 64.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.672 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 5.6 tp -50.17 -32.41 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.859 HD12 ' HG2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -75.86 -45.21 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -51.61 -20.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.137 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -72.89 -48.83 33.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -126.79 47.13 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.859 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -75.22 -58.13 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -49.92 -27.66 5.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -43.59 72.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD13 HG11 ' A' ' 100' ' ' VAL . 1.2 mt -79.46 -28.74 41.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.55 ' HG2' ' H3 ' ' A' ' 1' ' ' MET . 36.4 mt-10 -63.8 -17.85 63.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 2.9 mt-10 -79.82 -53.61 6.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 21' ' ' LEU . 20.0 pt -50.96 -49.49 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.14 -52.43 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -53.21 59.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.16 -68.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -41.24 -61.61 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.52 HG23 ' H ' ' A' ' 30' ' ' GLY . 16.2 tt -151.69 -58.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 104.12 161.98 24.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER 62.69 82.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -128.15 -178.48 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' HG13 ' A' ' 32' ' ' VAL . 13.9 m-70 -146.09 99.38 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.598 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.4 t -126.0 110.47 23.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.748 ' HB3' HD21 ' A' ' 5' ' ' LEU . 12.4 m-20 -99.08 116.96 32.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.2 126.65 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.797 HG21 ' CE2' ' A' ' 75' ' ' TYR . 5.3 mp -105.33 109.25 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 11' ' ' SER . 6.1 mt -77.47 123.75 26.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG23 ' HB ' ' A' ' 44' ' ' ILE . 27.5 m -146.96 142.65 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.65 ' HB2' HD13 ' A' ' 79' ' ' LEU . 70.6 p -76.12 -165.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.717 ' HA ' HD11 ' A' ' 80' ' ' ILE . 30.6 tt0 -73.72 -49.26 26.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 -28.2 63.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -77.42 -34.07 54.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' HB ' HG23 ' A' ' 39' ' ' VAL . 12.1 tt -85.55 -25.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -46.63 78.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.84 -48.54 14.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.5 tm? -45.92 -30.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 52' ' ' ARG . 9.5 t-20 -62.11 -54.4 41.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 6.7 pt20 -72.81 -29.17 63.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -45.43 -29.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -129.77 -45.28 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 4.9 tpt180 -70.23 -22.6 62.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 72.2 3.48 57.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -107.24 136.88 46.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -94.11 95.69 9.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.05 130.7 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.29 10.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 4.7 t -164.8 178.42 7.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' N ' ' OG1' ' A' ' 58' ' ' THR . 5.7 m-20 -71.86 -69.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.591 HG23 HG22 ' A' ' 76' ' ' VAL . 4.5 p -135.01 136.69 51.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' CD1' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -96.47 131.08 43.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.7 t -122.16 143.33 49.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 73' ' ' GLU . 2.3 m-85 -79.37 168.58 25.54 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 111.28 3.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.742 HD13 HG22 ' A' ' 70' ' ' VAL . 18.6 mt -138.76 -72.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.68 26.21 1.75 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -118.16 -175.44 2.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -98.13 46.66 1.01 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.31 93.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.742 HG22 HD13 ' A' ' 65' ' ' LEU . 1.6 t -54.65 -63.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 87.9 t80 36.06 39.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -136.03 -150.2 5.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 63' ' ' PHE . 0.9 OUTLIER -127.17 147.17 50.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 0.793 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 37' ' ' ILE . 2.0 pt -138.46 151.67 24.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.797 ' CE2' HG21 ' A' ' 37' ' ' ILE . 10.8 m-85 -110.52 131.86 54.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.07 HG11 HG21 ' A' ' 99' ' ' VAL . 46.0 t -125.2 152.55 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.774 ' SG ' HD12 ' A' ' 80' ' ' ILE . 39.8 t -142.12 103.65 5.65 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.47 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.4 Cg_endo -74.99 -0.19 9.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 40' ' ' SER . 0.2 OUTLIER -71.82 -55.3 7.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.774 HD12 ' SG ' ' A' ' 77' ' ' CYS . 4.5 mp -72.04 -39.13 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 73.3 t -56.27 -45.85 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -59.58 -50.15 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.35 -39.17 92.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 1.1 m-80 -66.72 -31.19 71.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 89' ' ' ASN . . . -78.31 -28.54 47.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -66.79 -28.82 68.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 84' ' ' ASN . 3.1 pt-20 -84.91 -17.89 36.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.0 9.67 13.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 48.98 23.44 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.441 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 35.1 t30 -78.32 157.16 29.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 75.3 p -82.21 97.55 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 110.416 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -43.91 -32.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.578 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . 8.8 pt-20 -63.46 -52.89 59.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.92 -31.33 72.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -75.02 -23.31 58.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.944 ' O ' HG22 ' A' ' 99' ' ' VAL . 3.2 tm? -77.18 -58.76 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.801 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -56.96 -26.07 59.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -58.4 -47.05 85.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.07 HG21 HG11 ' A' ' 76' ' ' VAL . 4.5 m -64.72 -24.9 36.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.89 HG11 HD13 ' A' ' 21' ' ' LEU . 25.2 t -71.91 -55.06 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.959 HD11 HG23 ' A' ' 130' ' ' VAL . 5.9 pt -65.68 -17.19 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.469 ' HA ' HD23 ' A' ' 105' ' ' LEU . 2.6 t-80 -51.93 -40.13 60.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.58 -47.81 7.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.486 HD13 HG13 ' A' ' 25' ' ' VAL . 96.8 mt -60.85 -54.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -51.58 -39.81 58.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.703 ' CD2' ' CE2' ' A' ' 110' ' ' TYR . 7.6 t-160 -50.96 -61.38 2.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.589 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.61 -16.7 63.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' A' ' 105' ' ' LEU . . . -68.91 -17.67 64.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.16 129.89 3.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.703 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 0.2 OUTLIER -121.76 178.52 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 112' ' ' HIS . 1.3 p30 156.41 -177.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.513 ' CB ' ' O ' ' A' ' 111' ' ' ASP . 4.0 t-80 88.39 -71.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.656 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 172.69 -36.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.573 ' CZ ' ' OH ' ' A' ' 110' ' ' TYR . 23.1 t80 51.95 31.2 8.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -97.02 142.04 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.25 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -177.18 -61.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -178.2 169.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.231 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.3 m -165.46 111.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -81.93 -50.97 8.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.24 -51.82 68.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.525 ' CE ' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.57 -47.41 76.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.413 ' C ' ' CD1' ' A' ' 123' ' ' PHE . 6.4 t80 -54.91 -41.96 71.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.4 -61.1 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.609 ' O ' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -54.97 -35.5 64.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 122' ' ' MET . 1.1 tt0 -67.07 -37.96 84.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -17.34 60.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -57.11 11.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 125' ' ' LYS . 7.0 m-85 -73.25 -37.79 66.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.959 HG23 HD11 ' A' ' 101' ' ' ILE . 0.9 OUTLIER -57.98 -46.16 87.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -37.05 86.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.64 -41.67 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.801 ' CG1' HD13 ' A' ' 97' ' ' LEU . 55.1 t -74.25 -54.91 13.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.567 ' CD2' ' HB2' ' A' ' 94' ' ' LYS . 10.9 t90 -59.68 -17.32 33.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.29 -22.71 15.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -82.49 -54.89 4.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.757 ' CD2' HD21 ' A' ' 17' ' ' LEU . 17.7 m0 -69.56 -20.65 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' TRP . 7.3 ttt180 -52.68 -31.04 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -11.11 38.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.2 99.37 24.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 172.88 15.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.8 t 60.98 -98.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.123 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -154.11 21.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.9 -171.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.63 53.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -95.03 145.61 29.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.82 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 145.02 100.46 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.22 132.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' O ' ' CG ' ' A' ' 1' ' ' MET . 1.6 tmm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.471 0.176 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 5.4 mp -114.45 151.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.58 138.27 47.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.58 135.33 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.622 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -144.39 163.4 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.35 -161.15 38.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -140.98 144.03 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.37 131.02 2.55 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.74 111.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 -35.48 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -58.31 -54.3 48.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.006 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -75.32 -42.89 53.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.664 ' CD1' ' CZ2' ' A' ' 137' ' ' TRP . 0.8 OUTLIER -50.32 -39.67 46.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.899 ' CD2' HG21 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -65.03 -42.78 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -50.99 -23.84 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 13' ' ' LEU . 87.6 m-20 -60.8 -43.91 97.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.722 ' H ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -121.36 44.52 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -50.52 46.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.98 -23.9 67.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -40.98 97.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 100' ' ' VAL . 1.0 OUTLIER -80.58 -32.66 36.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CD ' ' N ' ' A' ' 1' ' ' MET . 6.2 mt-10 -55.97 -21.55 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -73.32 -53.19 11.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.9 -42.22 91.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG22 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -59.96 -48.55 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -68.26 -50.42 53.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LYS . 2.9 ttmm -39.75 -60.77 0.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 107' ' ' LEU . 9.5 tt0 -47.29 -61.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.9 tt -156.7 -47.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 26' ' ' LYS . . . 90.89 48.56 3.35 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -160.22 50.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 0.773 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.545 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 12.4 m -116.53 -176.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 9.7 m-70 -149.91 101.23 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.8 t -110.74 101.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.489 ' HB3' ' CD2' ' A' ' 5' ' ' LEU . 1.7 m-80 -103.46 104.04 14.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 1.2 m -85.46 151.24 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.01 HD13 ' CD1' ' A' ' 75' ' ' TYR . 3.3 mp -121.03 114.29 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD11 ' CB ' ' A' ' 11' ' ' SER . 5.5 mt -86.2 120.47 27.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.697 HG23 ' HB ' ' A' ' 44' ' ' ILE . 20.4 m -145.32 138.49 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.434 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.3 m -72.16 -165.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' O ' HG22 ' A' ' 44' ' ' ILE . 30.4 tt0 -71.71 -45.78 60.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -72.49 -39.15 67.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -64.69 -38.79 92.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.697 ' HB ' HG23 ' A' ' 39' ' ' VAL . 5.5 tt -79.17 -33.33 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -51.41 -46.72 62.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' HG2' ' A' ' 45' ' ' LYS . 3.8 mt-10 -78.51 -49.63 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 47' ' ' LEU . 2.3 tm? -45.6 -30.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -77.38 -51.67 10.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' HA ' ' N ' ' A' ' 53' ' ' GLY . 13.5 mt-30 -57.14 -25.94 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -48.48 -35.78 13.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.249 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -126.96 -46.64 1.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 56' ' ' ARG . 0.1 OUTLIER -69.81 -22.04 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 49' ' ' GLN . . . 55.6 16.57 11.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' A' ' 49' ' ' GLN . 7.5 mt-30 -115.98 141.72 47.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 55' ' ' ASP . 4.1 t0 -96.21 94.32 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' NH2' ' NH2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -175.42 132.76 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.27 33.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.1 OUTLIER -139.5 8.52 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.463 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . 4.4 m-20 77.84 -52.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.911 HG23 HG22 ' A' ' 76' ' ' VAL . 3.0 p -144.06 124.83 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -94.9 132.36 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.252 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.8 m -114.13 135.73 53.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE1' ' CE1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -78.88 135.65 59.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.99 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.08 HD21 HG23 ' A' ' 70' ' ' VAL . 1.1 pt? -168.89 34.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.551 ' C ' ' O ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -24.22 -58.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 66' ' ' MET . 0.2 OUTLIER 34.35 -149.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -101.02 3.72 41.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.726 ' HB2' HD23 ' A' ' 107' ' ' LEU . 19.5 p-10 172.89 111.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.08 HG23 HD21 ' A' ' 65' ' ' LEU . 3.7 p -37.67 -59.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.618 ' CA ' HD21 ' A' ' 107' ' ' LEU . 85.8 t80 35.08 39.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -125.16 -123.95 2.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.954 ' HB2' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -131.86 159.43 38.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 37' ' ' ILE . 12.2 tt -143.34 130.72 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 1.01 ' CD1' HD13 ' A' ' 37' ' ' ILE . 16.4 m-85 -92.26 135.46 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.911 HG22 HG23 ' A' ' 60' ' ' VAL . 92.3 t -134.51 158.83 41.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.432 ' SG ' ' C ' ' A' ' 40' ' ' SER . 53.8 t -146.56 103.8 3.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB3' HD23 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -75.02 2.17 6.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.3 OUTLIER -70.89 -51.19 27.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.4 -39.89 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 95' ' ' GLU . 83.4 t -52.74 -53.44 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -61.53 -51.97 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.16 -38.95 68.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.75 -47.44 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.736 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -55.8 -27.1 49.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -67.94 -40.33 83.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 4.4 pt-20 -85.5 -28.82 24.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -103.16 12.36 35.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 85' ' ' ALA . 9.1 t-20 38.8 30.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.736 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 10.3 t30 -79.53 155.64 28.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.033 HG21 ' CZ2' ' A' ' 134' ' ' TRP . 1.1 p -72.9 97.86 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' O ' ' CD1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -52.17 -27.36 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.52 ' HG2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mt-10 -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.625 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.36 -54.15 50.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -53.07 -21.36 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.957 ' O ' HG22 ' A' ' 99' ' ' VAL . 1.5 tm? -84.28 -59.57 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.859 HD13 ' CG1' ' A' ' 133' ' ' VAL . 2.0 pp -59.24 -27.51 65.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 94' ' ' LYS . 1.1 pp20? -58.44 -29.69 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.957 HG22 ' O ' ' A' ' 96' ' ' LEU . 2.6 m -78.56 -28.46 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.899 HG21 ' CD2' ' A' ' 14' ' ' LEU . 41.2 t -67.21 -57.32 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 130' ' ' VAL . 12.5 pt -61.2 -20.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.466 ' HA ' ' CD2' ' A' ' 105' ' ' LEU . 1.6 t60 -53.32 -41.64 65.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.17 -51.04 5.51 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 60.5 mt -55.6 -54.0 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -50.69 -46.33 58.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.462 ' N ' HD12 ' A' ' 105' ' ' LEU . 7.4 t-160 -57.03 -34.8 68.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.638 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.726 HD23 ' HB2' ' A' ' 69' ' ' ASP . 3.0 mt -81.41 -19.61 42.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -56.3 -19.69 15.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.548 ' O ' ' CD1' ' A' ' 110' ' ' TYR . . . 72.89 144.59 0.6 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 109' ' ' GLY . 51.9 m-85 -155.49 -178.08 7.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 112' ' ' HIS . 0.4 OUTLIER -68.54 76.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 111' ' ' ASP . 41.4 t-80 82.86 -60.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.614 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' HG3' ' CE ' ' A' ' 66' ' ' MET . 0.0 OUTLIER 179.93 -76.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.642 ' CD1' ' N ' ' A' ' 115' ' ' GLU . 37.2 p90 -48.46 -44.67 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.642 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 19.1 tt0 79.05 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -112.4 -73.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -83.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.22 -47.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.9 p -116.93 -51.41 2.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -50.97 -44.3 60.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 116' ' ' ASP . 22.1 tp10 -73.83 -51.84 15.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -31.44 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -78.12 -31.7 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -61.2 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.551 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -57.87 -26.91 62.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 10.5 tt0 -70.14 -32.09 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -19.0 57.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -53.04 41.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.551 ' CE2' ' O ' ' A' ' 125' ' ' LYS . 13.2 m-85 -72.64 -32.44 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -63.12 -51.77 67.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -58.38 -24.76 60.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 131' ' ' GLU . 2.3 mt-10 -82.93 -47.64 11.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.859 ' CG1' HD13 ' A' ' 97' ' ' LEU . 24.5 t -68.76 -52.36 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 1.033 ' CZ2' HG21 ' A' ' 91' ' ' THR . 13.8 t90 -61.93 -15.55 44.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -53.2 -25.81 26.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -86.35 -52.6 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.288 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.664 ' CZ2' ' CD1' ' A' ' 13' ' ' LEU . 8.3 m0 -65.96 -19.32 65.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.003 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 134' ' ' TRP . 1.5 ttp180 -47.96 -40.11 21.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.6 m -55.7 -18.12 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.92 90.03 26.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.78 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.38 59.69 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.39 15.75 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -132.48 87.78 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 59.4 p -98.14 82.49 2.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.57 125.1 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 176.07 98.09 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 66.06 177.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.43 ' NH1' ' HA ' ' A' ' 150' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.491 0.186 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.0 mp -100.42 148.13 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.508 ' CB ' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.77 122.69 29.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.47 HD11 ' NZ ' ' A' ' 18' ' ' LYS . 1.7 mt -109.81 124.46 66.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -148.97 165.54 31.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.48 -38.14 3.25 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.5 mt-10 59.97 148.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.247 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . 137.76 156.5 7.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 8' ' ' GLY . 9.6 tttt -38.48 104.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 149.27 -27.65 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.097 . . . . 0.0 111.056 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' HD13 ' A' ' 38' ' ' LEU . 70.4 p -58.49 -54.08 51.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -35.33 80.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.033 HD13 ' CZ2' ' A' ' 137' ' ' TRP . 0.1 OUTLIER -60.39 -33.45 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' CG ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -76.32 -51.71 11.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -52.02 -20.67 2.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -73.78 -49.89 23.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.746 HD22 HG12 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -112.89 41.71 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' CG ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -76.96 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.81 -41.64 61.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -54.72 -33.56 61.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.692 HD11 HG11 ' A' ' 100' ' ' VAL . 13.3 mt -80.32 -34.67 36.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 25' ' ' VAL . 51.5 mt-10 -60.29 -20.14 57.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -75.08 -52.38 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.47 -42.97 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.715 HG21 HG12 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -66.32 -30.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -53.96 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -49.07 78.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.15 -60.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 tt -137.91 -53.75 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.21 -30.11 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -168.4 124.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG12 HG21 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -128.97 178.82 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.9 m-70 -131.57 103.62 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -121.96 104.5 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.788 ' HB3' HD21 ' A' ' 5' ' ' LEU . 5.2 m-20 -89.91 103.16 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.01 126.87 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.907 HD11 ' HB2' ' A' ' 73' ' ' GLU . 2.7 mp -106.46 106.74 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 11' ' ' SER . 12.5 mt -87.0 119.69 27.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.923 ' CG2' HD12 ' A' ' 44' ' ' ILE . 32.7 m -146.45 138.04 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.936 ' HB3' HD13 ' A' ' 79' ' ' LEU . 8.1 m -66.63 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.755 ' HA ' HD11 ' A' ' 80' ' ' ILE . 27.4 tt0 -69.6 -51.17 37.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -39.95 78.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HB2' ' N ' ' A' ' 40' ' ' SER . 20.2 mm-40 -59.26 -38.74 80.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.923 HD12 ' CG2' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -82.36 -33.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.18 -47.63 45.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.9 mt-10 -78.47 -45.21 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.673 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.7 tm? -43.85 -37.13 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t-20 -64.47 -49.72 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 9.6 tt0 -70.57 -23.71 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' GLU . 52.3 mt-30 -60.59 -21.88 63.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -129.85 -54.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -70.85 -24.75 62.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.276 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 49' ' ' GLN . . . 82.56 -11.97 49.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -85.91 145.59 27.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.2 95.28 5.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -173.51 131.62 0.57 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 170.65 19.93 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 59' ' ' ASP . 1.6 t -154.63 172.64 17.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 81' ' ' VAL . 10.5 t0 -64.24 -56.85 11.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 76' ' ' VAL . 5.1 p -153.63 138.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' HB2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -96.21 126.13 41.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.8 m -105.9 151.04 25.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.864 ' HB3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -103.3 149.08 36.61 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.722 ' O ' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 114.96 4.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.793 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.864 HD21 ' HB3' ' A' ' 63' ' ' PHE . 0.2 OUTLIER 175.6 -69.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' LEU . 11.5 ptm 29.64 41.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 mt-10 -94.97 -168.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.734 ' HA ' HD21 ' A' ' 107' ' ' LEU . 3.0 tt0 -82.96 58.43 4.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' TYR . 1.3 m-20 165.15 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG2' ' NE2' ' A' ' 106' ' ' HIS . 1.5 t 67.89 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER 37.64 39.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' H ' HG12 ' A' ' 70' ' ' VAL . . . -125.63 -157.34 9.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.45 1.094 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.907 ' HB2' HD11 ' A' ' 37' ' ' ILE . 16.8 pt-20 -139.27 123.92 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 110.309 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 8.6 tt -107.5 133.95 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD1' HD13 ' A' ' 37' ' ' ILE . 25.3 m-85 -96.57 141.02 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 99' ' ' VAL . 92.4 t -137.17 148.49 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.5 ' O ' HG23 ' A' ' 81' ' ' VAL . 1.8 p -137.2 102.23 9.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.51 ' HB3' HD12 ' A' ' 96' ' ' LEU . 18.3 Cg_endo -74.96 -1.34 11.08 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.1 OUTLIER -73.65 -53.18 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.755 HD11 ' HA ' ' A' ' 41' ' ' GLU . 3.3 mp -74.99 -40.0 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 77' ' ' CYS . 69.0 t -55.74 -54.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' ARG . 4.2 tt0 -52.69 -50.24 63.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -54.92 -44.12 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 87' ' ' GLU . 18.2 m120 -64.44 -34.86 79.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 90' ' ' ASN . . . -77.91 -28.24 49.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 82' ' ' GLU . 6.7 mtp180 -70.36 -27.38 64.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 88' ' ' PHE . 2.3 pt-20 -85.21 -25.8 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' C ' ' N ' ' A' ' 90' ' ' ASN . 0.3 OUTLIER -117.96 20.49 13.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' ALA . 6.7 t-20 38.77 31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.492 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 32.3 t30 -74.29 156.81 36.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.016 HG22 ' HG2' ' A' ' 93' ' ' GLU . 3.8 m -73.5 97.0 2.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.26 -40.24 67.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 1.016 ' HG2' HG22 ' A' ' 91' ' ' THR . 5.0 pt-20 -56.38 -55.64 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 134' ' ' TRP . 9.6 ttpt -63.3 -36.92 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' OE1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -54.74 -40.72 69.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.019 ' O ' HG22 ' A' ' 99' ' ' VAL . 9.6 tt -76.36 -43.78 39.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 93' ' ' GLU . 2.0 mp -50.2 -42.81 52.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' HIS . 26.3 mt-10 -55.61 -48.48 74.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' O ' ' A' ' 96' ' ' LEU . 3.0 m -63.94 -24.81 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.692 HG11 HD11 ' A' ' 21' ' ' LEU . 65.0 t -78.23 -58.27 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 105' ' ' LEU . 37.3 pt -68.79 -17.53 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.472 ' CE1' HE22 ' A' ' 126' ' ' GLN . 0.1 OUTLIER -51.29 -23.92 4.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.615 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.37 -47.28 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.549 HG12 HG23 ' A' ' 25' ' ' VAL . 6.3 mt -79.85 -48.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.845 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -46.12 -50.69 15.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.695 ' N ' HD12 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -63.42 -41.42 98.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.602 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.734 HD21 ' HA ' ' A' ' 68' ' ' GLU . 1.1 mt -77.8 0.87 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 105' ' ' LEU . . . -80.26 -6.11 57.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 110' ' ' TYR . . . 157.57 -154.52 25.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 110' ' ' TYR . 0.3 OUTLIER 64.87 179.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 111.035 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -163.14 76.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.505 ' O ' ' CB ' ' A' ' 113' ' ' GLU . 18.5 m-70 69.99 153.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 112' ' ' HIS . 2.7 tt0 86.61 -44.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 110' ' ' TYR . 77.8 m-85 -72.73 -24.43 60.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.38 88.91 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.05 139.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -85.83 -70.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.11 161.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.027 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -82.23 -36.16 27.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -47.02 28.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.509 ' HE1' ' CE2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -57.31 -50.36 73.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -60.2 -32.54 71.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -59.97 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -42.22 63.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.384 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.472 HE22 ' CE1' ' A' ' 102' ' ' HIS . 30.1 tt0 -61.29 -40.26 93.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -30.36 68.49 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -57.37 6.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' A' ' 108' ' ' ALA . 9.5 m-85 -73.37 -37.72 65.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -56.42 -44.62 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.53 -41.68 83.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -44.11 97.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.746 HG12 HD22 ' A' ' 17' ' ' LEU . 96.0 t -76.64 -41.86 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.818 ' CZ2' HG21 ' A' ' 91' ' ' THR . 8.8 t90 -66.74 -13.58 61.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 107.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.5 -28.16 14.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -87.68 -57.61 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 0.795 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.033 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 3.3 m95 -56.63 -20.82 23.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 108.047 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 134' ' ' TRP . 0.0 OUTLIER -47.66 -38.59 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 16.0 m -56.67 -17.56 9.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.46 86.85 39.95 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 142' ' ' SER . 18.4 Cg_endo -75.0 -161.95 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.5 OUTLIER -37.09 153.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 144' ' ' ASP . 1.5 mm-40 -76.38 -1.02 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 143' ' ' GLU . 3.1 t70 81.98 153.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 95.9 p -173.2 46.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -150.37 156.54 37.04 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -24.93 12.53 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 131.58 52.0 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 13.1 tttp 41.19 62.6 1.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.296 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.8 mmt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.486 0.184 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -126.12 153.51 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -146.04 142.31 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.595 HG22 HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -117.28 146.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD11 ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -149.07 163.34 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.21 -132.88 11.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 38' ' ' LEU . 2.6 pt-20 -166.01 142.67 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 0.779 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.732 ' O ' HD13 ' A' ' 38' ' ' LEU . . . 144.42 139.68 3.5 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -44.23 125.41 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.73 -30.78 1.38 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -56.89 -54.29 48.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.784 . . . . 0.0 109.981 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -43.97 91.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.083 ' CD2' HD13 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -55.27 -30.86 60.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.53 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -73.43 -52.45 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -52.26 -22.42 4.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -73.3 -51.27 18.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 ' CD1' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -103.74 32.86 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -70.42 -50.74 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 23' ' ' GLU . 5.0 pt-20 -61.91 -35.28 77.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 133' ' ' VAL . 11.2 tptt -60.67 -41.72 95.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.7 mt -75.84 -27.79 57.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.506 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 2.7 mt-10 -66.6 -19.78 65.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 1.9 mt-10 -78.37 -53.54 7.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 21' ' ' LEU . 18.9 pt -51.71 -49.33 35.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 21' ' ' LEU . 3.4 m -61.69 -43.5 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 19.9 tttm -58.29 -40.41 81.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -63.27 -52.03 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.31 -60.22 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.55 HG23 ' H ' ' A' ' 30' ' ' GLY . 11.8 tt -143.76 -59.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 29' ' ' ILE . . . 98.38 34.25 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -164.11 64.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.788 HG21 HD22 ' A' ' 107' ' ' LEU . 7.6 p -124.22 171.56 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.54 ' H ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -138.74 108.96 6.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.561 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.4 t -112.99 105.43 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' OD1' HD22 ' A' ' 5' ' ' LEU . 2.3 m-20 -95.21 104.19 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG22 HG22 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -91.22 129.79 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.016 HG21 ' CE2' ' A' ' 75' ' ' TYR . 3.0 mp -101.94 108.9 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 8' ' ' GLY . 22.7 mt -81.42 121.87 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.852 ' CG2' HD12 ' A' ' 44' ' ' ILE . 11.5 m -150.24 142.62 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.757 ' HB3' HD13 ' A' ' 79' ' ' LEU . 50.1 m -81.2 -170.84 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.62 ' H ' HD22 ' A' ' 79' ' ' LEU . 25.6 tt0 -67.84 -49.0 64.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -35.48 66.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.11 75.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.852 HD12 ' CG2' ' A' ' 39' ' ' VAL . 6.1 tt -84.86 -30.59 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.12 -47.17 45.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.63 -43.52 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 47' ' ' LEU . 1.5 tm? -50.64 -51.59 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 23.7 t-20 -59.58 -33.99 72.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 54' ' ' GLN . 5.9 mt-30 -64.38 -25.59 68.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.09 -22.94 67.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.65 -49.89 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -31.72 70.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.88 -0.88 70.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 16.7 pt20 -133.34 167.86 19.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 0.738 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -86.59 100.87 12.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 4.9 mmm180 -143.08 104.14 5.18 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.08 23.41 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 111.034 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.559 ' CG2' HD12 ' A' ' 61' ' ' LEU . 9.6 t -166.43 164.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.74 -48.91 72.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.635 HG11 HG12 ' A' ' 99' ' ' VAL . 1.5 p -155.97 137.36 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD12 ' CG2' ' A' ' 58' ' ' THR . 0.1 OUTLIER -97.21 127.99 43.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.8 t -117.53 144.1 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 73' ' ' GLU . 2.7 m-30 -78.05 152.86 79.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.757 ' O ' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 107.9 2.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.914 ' HB2' HG12 ' A' ' 70' ' ' VAL . 44.7 mt -152.97 69.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.52 56.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -131.3 178.39 6.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.349 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 1.3 mt-10 -88.11 38.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 2.5 t70 162.9 102.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.914 HG12 ' HB2' ' A' ' 65' ' ' LEU . 16.7 m -69.88 -40.87 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 71' ' ' TYR . 85.9 t80 37.22 30.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' VAL . . . -116.37 -124.21 3.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.884 ' HB2' HD11 ' A' ' 37' ' ' ILE . 2.5 pm0 -142.78 153.12 42.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.1 pt -137.85 129.57 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 1.016 ' CE2' HG21 ' A' ' 37' ' ' ILE . 25.4 m-85 -85.46 119.16 25.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.637 HG22 ' HB ' ' A' ' 99' ' ' VAL . 80.1 t -107.15 151.77 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.567 ' SG ' HD12 ' A' ' 80' ' ' ILE . 51.0 t -149.04 93.72 4.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.48 ' HA ' ' HB ' ' A' ' 81' ' ' VAL . 18.3 Cg_endo -75.01 3.86 5.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.757 HD13 ' HB3' ' A' ' 40' ' ' SER . 0.2 OUTLIER -70.43 -57.63 4.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.567 HD12 ' SG ' ' A' ' 77' ' ' CYS . 3.0 mp -74.8 -42.3 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' HB ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 t -52.12 -55.96 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.9 -37.16 75.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.71 -36.54 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.457 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 43.1 m-80 -76.28 -39.97 52.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.714 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . . . -65.85 -25.57 67.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -64.55 -54.47 31.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 84' ' ' ASN . 1.6 pt-20 -75.42 -38.22 59.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.328 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ASN . 0.7 OUTLIER -88.91 9.09 26.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER 38.53 31.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.63 ' O ' ' HB1' ' A' ' 85' ' ' ALA . 40.1 t30 -75.23 156.28 35.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.764 HG23 ' HB3' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -69.11 97.06 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.368 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -53.6 -36.85 62.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.654 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.2 -40.54 94.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HB3' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -71.63 -34.92 70.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.714 ' OE2' ' HB2' ' A' ' 85' ' ' ALA . 1.1 tt0 -62.04 -47.22 85.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.083 HD13 ' CD2' ' A' ' 13' ' ' LEU . 4.0 tt -72.92 -30.67 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.696 ' HB3' HG22 ' A' ' 130' ' ' VAL . 0.0 OUTLIER -60.55 -27.7 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 102' ' ' HIS . 51.5 mt-10 -70.37 -58.03 4.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.637 ' HB ' HG22 ' A' ' 76' ' ' VAL . 22.7 m -56.4 -23.05 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 96' ' ' LEU . 73.2 t -73.64 -58.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.777 ' CD1' HG23 ' A' ' 130' ' ' VAL . 29.4 pt -72.57 -16.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 98' ' ' GLU . 12.1 t-160 -50.65 -30.73 14.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.79 -50.52 5.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.449 ' CD1' ' HB3' ' A' ' 21' ' ' LEU . 77.2 mt -66.31 -54.26 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -48.37 -47.37 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.438 ' N ' HD12 ' A' ' 105' ' ' LEU . 1.9 m170 -52.85 -28.41 22.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.788 HD22 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -88.2 -28.02 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.08 -17.05 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.68 129.9 4.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -75.32 177.35 6.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 0.733 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -81.42 -17.57 48.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.08 -54.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.619 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -154.22 -44.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 122' ' ' MET . 0.5 OUTLIER 45.03 43.93 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -134.71 42.54 2.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.65 27.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.72 144.4 17.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 119' ' ' SER . 52.6 t-20 -42.48 -65.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 118' ' ' ASN . 0.4 OUTLIER 157.44 53.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.16 -55.1 4.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.236 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.4 -47.97 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.309 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.565 ' HB2' ' CD1' ' A' ' 114' ' ' PHE . 0.3 OUTLIER -50.49 -32.28 17.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 127' ' ' LYS . 74.7 t80 -54.75 -34.53 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.88 -62.36 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.47 ' O ' ' CE2' ' A' ' 129' ' ' TYR . 0.6 OUTLIER -59.19 -33.45 70.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.511 ' O ' ' CD1' ' A' ' 101' ' ' ILE . 18.8 tt0 -69.74 -38.06 76.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.57 ' HD2' ' CZ ' ' A' ' 123' ' ' PHE . 0.7 OUTLIER -71.91 -22.06 61.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -57.51 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.535 ' HB2' HD12 ' A' ' 101' ' ' ILE . 9.8 m-85 -73.01 -37.19 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.777 HG23 ' CD1' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -56.32 -40.72 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.06 -51.99 66.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -53.57 56.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.689 HG12 HD21 ' A' ' 97' ' ' LEU . 84.1 t -62.85 -43.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 94' ' ' LYS . 9.7 t90 -66.81 -12.87 60.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 107.926 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -50.77 -32.21 25.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.44 1.087 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.49 -59.48 2.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.751 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.077 ' CZ2' HD13 ' A' ' 13' ' ' LEU . 5.5 m95 -54.14 -21.32 8.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.027 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 134' ' ' TRP . 0.3 OUTLIER -54.61 -32.32 58.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.4 m -71.11 -9.03 57.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -143.54 69.53 17.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.46 ' HA ' ' OE2' ' A' ' 93' ' ' GLU . 18.2 Cg_endo -75.05 -90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.788 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 141' ' ' PRO . 0.2 OUTLIER -37.52 140.53 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.74 13.78 29.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -143.0 167.85 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.3 m -102.18 149.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.59 125.47 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.516 1.798 . . . . 0.0 111.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 149.94 62.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -44.4 136.92 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.991 . . . . . . . . 0 0 . 1 stop_ save_