data_1qn1_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 1qn1 _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 ' 3' ' ' VAL . . . . . 0.539 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 122.066 0.936 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 3' ' ' VAL . 11.2 Cg_endo -55.46 109.7 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' C ' ' CG ' ' A' ' 6' ' ' ASP . . . -42.44 -84.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -169.56 -177.35 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.87 26.33 22.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.75 102.85 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -79.26 110.87 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.32 107.36 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.91 69.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.0 5.25 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.8 158.04 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 1.6 m -130.87 130.33 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 t -112.72 127.66 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.59 128.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -112.71 147.41 36.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.07 125.47 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 32.1 m80 -73.4 -9.06 58.3 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.746 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 p -92.92 26.21 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.5 p -147.26 25.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 28' ' ' THR . 68.5 m80 -163.75 32.03 0.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -79.79 -27.36 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.21 6.94 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -106.32 140.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -43.59 112.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -51.08 -23.55 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -105.63 36.27 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.4 t0 -103.21 -30.39 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -106.03 -35.96 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -95.79 80.7 3.39 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.746 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -89.3 33.97 0.81 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.216 0.947 . . . . 0.0 109.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' HG2' ' CB ' ' A' ' 44' ' ' LYS . 1.2 mp0 -97.92 170.37 7.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 40' ' ' GLN . 56.8 Cg_endo -81.24 -57.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.32 3.347 . . . . 0.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.49 -60.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.27 -21.03 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 40' ' ' GLN . 9.2 mtmp? -108.97 -15.32 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -47.11 -37.5 9.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -103.88 20.63 17.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.819 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 136.13 46.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -44.23 164.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.06 -48.8 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' THR . 71.6 p -55.78 -69.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER 34.77 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 13.2 t70 -116.19 141.68 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.67 46.62 74.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 25.1 m -144.29 -124.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' C ' ' HA ' ' A' ' 50' ' ' THR . 54.8 m-70 -104.16 59.0 0.72 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.731 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 16.4 p-10 -89.3 -44.59 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.6 114.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -104.98 42.03 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.92 151.3 39.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -102.4 -36.71 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.79 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.46 135.16 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 64' ' ' SER . 2.4 ttmt -88.23 -155.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 1.2 p 81.75 157.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -91.69 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 17.8 m120 -116.52 9.36 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.38 22.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -46.12 -36.22 5.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 108.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.768 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.2 t80 -92.2 53.4 2.13 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.808 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' SER . 13.7 tttt -144.49 -58.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.35 -2.11 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 t -95.37 -41.44 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.5 m80 -106.15 16.41 24.98 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.756 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.4 t0 -71.34 60.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.01 -29.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -66.34 -45.74 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 87.01 150.4 17.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.58 -146.0 6.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.5 -27.65 39.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -135.87 146.3 56.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -56.69 155.27 27.43 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 6.5 p -108.01 -107.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.6 m -135.99 -48.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -79.0 -31.82 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' CYS . 31.9 p -55.87 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.8 t -37.79 -56.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CE1' HD13 ' A' ' 101' ' ' LEU . 6.3 m-70 -47.95 -57.8 5.25 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.756 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -30.79 60.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 7.08 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -136.54 70.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.67 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 104.86 -150.74 17.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.51 24.1 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.767 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -97.73 85.85 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.1 mtpp -39.16 -30.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 94' ' ' ASP . 8.0 tp10 -53.86 -54.62 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD2' ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -91.7 1.12 57.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -94.43 -32.59 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 95' ' ' LYS . 6.4 mtpt -65.27 -49.24 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -93.1 85.74 5.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD13 ' CE1' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 156.15 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' GLY . 25.5 p -140.41 -45.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.09 158.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 110' ' ' HIS . 13.4 m -95.57 -73.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -81.32 99.65 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 34.71 2.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.4 t -127.01 162.38 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' O ' ' SG ' ' A' ' 109' ' ' CYS . . . -83.04 49.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 108' ' ' ALA . 89.4 m -153.02 -49.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 104' ' ' CYS . 45.1 m-70 -129.65 79.78 72.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.746 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.17 138.02 8.68 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 122.067 0.937 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 87.4 Cg_exo -43.08 135.36 5.57 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.45 -160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.05 163.42 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.03 24.3 32.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.92 159.35 16.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.19 133.33 47.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -98.33 116.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -154.61 89.09 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -103.89 -49.23 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.1 mt -59.03 153.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -100.21 140.87 33.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.07 127.14 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -92.14 127.3 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 t80 -114.35 149.55 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.83 121.56 16.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 16.2 m80 -70.62 -8.36 51.15 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.748 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 p -87.94 -10.36 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.0 p -109.03 24.23 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 28' ' ' THR . 66.2 m80 -162.32 35.06 0.11 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.763 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -27.43 24.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.63 6.05 19.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LYS . 45.7 t -106.47 136.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -39.87 132.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.16 -5.7 37.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.24 12.99 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -83.51 -29.97 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.6 m -108.33 -40.51 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -93.34 94.37 8.7 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.773 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -104.6 30.46 5.39 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.146 0.904 . . . . 0.0 109.752 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.2 mp0 -92.32 139.54 24.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.44 156.05 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.379 3.386 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.2 -162.41 53.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -87.42 12.25 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -94.94 15.11 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 12.8 tt0 -52.75 -21.49 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.2 21.2 16.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.827 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.16 144.07 33.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.57 153.51 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.41 -39.01 15.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.404 ' HA ' ' C ' ' A' ' 55' ' ' HIS . 59.2 p -84.58 43.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.3 m -92.99 156.73 16.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.8 t70 -38.6 131.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.39 49.25 80.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -149.75 -133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.404 ' C ' ' HA ' ' A' ' 50' ' ' THR . 33.3 m-70 -100.77 63.05 1.03 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.738 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 15.9 t-20 -94.05 -39.63 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.16 115.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 21.8 mt -106.01 42.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -148.18 129.34 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -77.19 -15.76 59.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.58 -18.04 17.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.5 116.34 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -138.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t 68.05 163.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 73.7 t -92.06 35.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.35 7.27 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.95 109.64 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -47.29 -37.31 10.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.65 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 75.0 t80 -90.68 55.42 2.97 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.859 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.8 tptm -143.68 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -3.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 73' ' ' HIS . 20.1 t -95.12 -38.2 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.6 m80 -111.39 16.56 20.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.759 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 70' ' ' LYS . 4.3 m-20 -80.72 72.23 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -59.06 -25.06 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -60.51 -46.71 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.79 136.05 3.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.68 -143.82 8.04 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.54 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -145.55 147.02 31.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 15.4 Cg_endo -55.1 156.47 16.05 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -108.74 -104.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.5 m -142.4 -46.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -81.38 -24.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' CYS . 80.8 p -65.05 -77.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.8 t -40.46 -51.37 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 108.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.564 ' CE1' HD23 ' A' ' 101' ' ' LEU . 5.9 m-70 -52.65 -56.9 12.16 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.72 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -27.94 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.81 6.99 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -136.61 69.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.22 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.38 -156.62 24.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.13 -18.6 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 96' ' ' GLU . 5.8 m-20 -61.09 82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.3 pttp -47.94 -23.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 94' ' ' ASP . 68.6 mt-10 -56.85 -34.9 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.49 7.57 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -32.3 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -59.58 -35.4 74.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.54 86.85 2.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.574 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.74 -25.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 103' ' ' GLY . 34.0 p -136.98 -45.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.07 162.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -105.68 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -75.58 93.19 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.63 30.66 2.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.42 157.62 42.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -27.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 107' ' ' SER . 68.9 m -111.06 139.75 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 11.0 m-70 55.89 66.83 3.3 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.76 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 67.8 Cg_endo -87.65 139.35 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.372 3.382 . . . . 0.0 109.632 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.124 0.964 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.58 ' CG ' ' CE1' ' A' ' 26' ' ' HIS . 19.1 Cg_endo -58.86 127.71 25.36 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.328 3.352 . . . . 0.0 109.593 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' PRO . . . -57.19 -162.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.01 169.86 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.25 23.27 35.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.68 113.53 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -85.93 124.06 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.45 114.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -155.52 71.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -81.42 -12.2 59.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 14' ' ' ALA . 2.2 mt -86.94 144.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.41 ' N ' HG21 ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.24 134.06 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.94 128.57 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 t -88.6 130.51 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -119.57 148.81 42.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.21 126.62 18.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 4' ' ' PRO . 20.9 m80 -73.76 -12.65 60.77 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.771 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.9 p -91.11 29.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 6.2 p -151.2 28.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 57.3 m80 -164.42 32.75 0.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.782 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -85.64 -29.82 23.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.84 5.72 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.7 t -88.01 -69.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER 161.4 142.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.81 38.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 2.1 p-10 -171.77 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -114.91 -30.04 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 m -109.31 -20.67 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.01 81.84 1.6 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.776 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -96.65 34.26 1.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.119 0.887 . . . . 0.0 109.79 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.44 167.22 11.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' GLN . 33.8 Cg_exo -57.99 165.19 7.12 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 0.0 109.568 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -2.52 67.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.55 -6.42 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HE2' ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -137.1 15.51 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 4.5 tt0 -51.38 -23.0 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -113.16 26.31 10.58 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.804 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HE2' ' A' ' 44' ' ' LYS . . . -79.21 154.79 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -36.31 153.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.52 -38.44 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 22.2 p -107.32 38.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.98 169.11 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.431 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -53.65 145.19 15.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.95 34.66 72.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.6 m -139.11 -135.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.503 ' O ' ' CG2' ' A' ' 50' ' ' THR . 23.3 m-70 -102.34 75.47 1.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.795 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.1 t-20 -101.99 -47.67 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -38.31 116.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 40.4 mt -105.86 42.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 33.2 t0 -133.68 156.8 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -103.6 -26.51 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.75 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -109.53 127.75 54.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.5 tttt -87.84 -150.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 84.83 166.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.07 34.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -124.72 14.84 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -106.07 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -43.81 -30.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.025 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.725 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 77.3 t80 -96.08 50.52 1.18 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.793 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -140.35 -58.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -2.32 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.23 -40.28 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.725 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.8 m80 -109.6 15.17 23.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.786 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.9 m-20 -77.51 67.54 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -52.78 -27.43 17.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -58.34 -54.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.11 130.94 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.23 -140.97 8.78 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -28.8 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -136.51 146.31 55.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 14.6 Cg_endo -55.14 155.58 18.87 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.325 3.35 . . . . 0.0 109.614 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -105.94 -108.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.4 m -136.8 -46.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.453 HG21 ' CB ' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -80.03 -30.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' CYS . 43.4 p -58.09 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.7 t -37.66 -54.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.561 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.1 m-70 -50.41 -59.74 3.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -28.26 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.49 10.25 28.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -136.72 70.2 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.16 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.423 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . . . 93.4 -154.22 21.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 22.6 p-10 -74.12 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -62.75 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -47.54 -23.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 94' ' ' ASP . 28.0 tp10 -55.76 -33.54 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.1 4.14 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 92' ' ' GLY . 16.1 mmtp -97.36 -38.79 9.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.15 -34.48 68.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.16 86.17 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.78 -25.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' GLY . 37.7 p -135.54 -46.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.05 162.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.28 -76.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -74.52 93.86 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.44 31.18 2.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.62 158.81 41.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.737 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.98 -26.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' SER . 68.1 m -112.15 140.88 46.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 14.8 m-70 55.63 65.78 4.25 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.748 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 69.3 Cg_endo -86.42 140.6 6.42 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.266 3.311 . . . . 0.0 109.644 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.564 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.091 0.948 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' A' ' 3' ' ' VAL . 58.6 Cg_endo -86.45 137.15 4.9 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.295 3.33 . . . . 0.0 109.636 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.07 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.29 178.31 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.63 23.42 30.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.02 162.75 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -140.97 120.7 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.7 mt -98.57 120.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -157.59 89.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.51 1.01 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -108.88 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 HG23 ' CG ' ' A' ' 9' ' ' LYS . 1.1 m -136.12 128.93 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.47 128.62 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 t -89.48 129.92 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -112.76 144.27 42.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -133.49 121.56 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' CE1' ' CG ' ' A' ' 4' ' ' PRO . 17.1 m80 -72.29 -32.55 66.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.789 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -51.31 -33.33 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 p -97.57 18.32 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' HIS . 40.6 m80 -149.72 34.12 0.69 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.777 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -32.34 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.41 4.77 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.8 128.66 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.88 120.65 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' HIS . 1.6 m -60.26 -20.69 60.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -75.36 -14.24 60.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -76.52 -24.26 53.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 26.1 m -112.68 -40.73 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' CYS . 98.2 m-70 -100.21 87.44 3.44 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.752 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -99.96 36.43 1.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.119 0.887 . . . . 0.0 109.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 6.6 mm100 -102.94 105.12 43.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' GLY . 59.6 Cg_endo -77.21 -27.42 6.67 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.275 3.317 . . . . 0.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -52.19 -172.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.522 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 30.0 t70 -90.36 38.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 12.7 mtmt -161.6 61.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 2.1 tt0 -51.48 -22.18 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.39 19.37 16.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -66.76 142.54 57.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -47.83 146.44 4.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.7 m -73.56 -44.11 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' THR . 54.5 p -64.88 -69.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER 34.24 -141.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -115.27 140.26 49.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 15.1 m -146.18 -128.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.454 ' C ' ' HA ' ' A' ' 50' ' ' THR . 40.1 m-70 -100.99 56.06 0.85 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.795 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.9 p-10 -85.86 -46.55 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.38 115.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.0 mt -105.5 42.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.44 165.5 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -34.97 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.88 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.02 115.09 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -138.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.6 t 69.41 159.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 70.3 t -92.11 35.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 1.7 m-80 -118.44 10.35 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.24 110.25 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -46.64 -31.1 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.796 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 72.8 t80 -94.46 47.48 1.18 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.82 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -139.1 -59.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -6.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -91.58 -41.47 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.796 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.0 m80 -108.06 15.67 24.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' LYS . 4.0 m-20 -77.8 66.58 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.29 -28.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.7 tptt -115.72 85.59 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -122.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.04 -99.4 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.15 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -132.71 144.96 55.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 57.8 Cg_endo -66.61 163.19 33.79 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.278 3.319 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 p -107.63 -110.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.9 m -137.87 -45.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.82 -27.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' CYS . 66.2 p -61.99 -81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.2 t -36.4 -48.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CE1' HD23 ' A' ' 101' ' ' LEU . 5.5 m-70 -55.82 -58.42 7.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.71 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -48.59 76.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -16.09 64.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' CYS . 63.8 mmtt -109.71 32.5 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -135.14 24.4 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.68 -134.47 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -112.16 -15.35 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.75 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.2 m-20 -64.81 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -44.46 -25.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 94' ' ' ASP . 58.5 tt0 -56.06 -35.29 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -8.73 58.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -84.92 -32.86 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -53.38 -38.62 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -115.83 88.9 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.87 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' GLY . 47.4 p -136.5 -44.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.57 162.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -105.52 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 93.32 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.66 30.63 2.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.77 160.65 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.018 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.13 -19.76 5.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 94.1 m -113.16 118.93 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 108.269 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.0 m-70 69.71 69.71 0.39 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.73 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.446 ' O ' ' OXT' ' A' ' 112' ' ' SER . 71.7 Cg_endo -87.17 140.27 5.54 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.294 3.33 . . . . 0.0 109.56 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 9.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.606 HG13 ' CD2' ' A' ' 26' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.098 0.952 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 3' ' ' VAL . 59.1 Cg_endo -85.26 137.17 5.96 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 0.0 109.584 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -177.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.18 172.44 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.45 22.2 35.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.21 82.53 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -56.25 124.48 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.45 117.44 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -155.98 82.64 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -96.86 -13.99 22.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -105.83 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.41 135.04 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.68 130.59 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.84 132.86 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -123.5 145.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -135.38 124.12 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CD2' HG13 ' A' ' 3' ' ' VAL . 10.0 m80 -70.37 -12.49 61.62 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.758 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 p -84.98 -15.01 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 29.5 p -103.27 22.1 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' THR . 67.7 m80 -161.18 35.39 0.14 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.77 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.24 -29.44 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.98 6.38 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.0 t -102.7 138.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ASP . 1.2 mptt -39.77 111.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -52.97 -21.97 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -105.81 31.14 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.7 t0 -100.38 -29.53 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.2 m -106.3 -36.42 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -98.3 84.49 3.24 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.767 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -88.61 33.02 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.102 0.876 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.6 mp0 -91.72 170.6 9.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 40' ' ' GLN . 61.1 Cg_endo -85.53 -57.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.299 3.333 . . . . 0.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.7 -63.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.96 -19.7 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -107.94 -15.19 14.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 29.8 tt0 -46.05 -36.25 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -108.04 23.49 14.4 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 154.46 17.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.51 152.49 0.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.14 -46.76 22.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' THR . 11.0 p -77.5 -51.38 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 31.94 -146.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -117.56 150.25 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.16 17.14 10.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 50' ' ' THR . 56.7 m -114.75 -99.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -132.14 63.36 1.62 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.788 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -92.51 -50.86 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -37.83 116.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 42.0 mt -105.6 42.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.96 170.67 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -119.1 -40.82 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.21 3.18 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.5 -39.89 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.78 -152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 22.8 t 67.67 159.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 88.0 t -91.87 35.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -125.58 15.67 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -102.05 112.21 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 108.02 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.79 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 86.7 t80 -85.88 55.83 3.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.777 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 64' ' ' SER . 16.6 tttt -146.01 -57.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.6 -1.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.86 -38.09 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.2 m80 -108.22 17.29 22.4 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.8 t0 -75.57 57.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.11 -31.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -59.19 -42.7 91.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 85.23 135.77 3.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.67 -141.72 7.41 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.38 83.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.347 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 147.77 52.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.11 150.75 30.56 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 0.0 109.592 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 3.2 p -102.96 -104.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.6 m -142.23 -47.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.4 -30.79 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 86' ' ' CYS . 62.9 p -59.79 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 85' ' ' SER . 44.5 t -36.15 -50.07 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.592 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.0 m-70 -55.55 -63.18 1.25 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -55.55 -25.36 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -93.84 13.48 22.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' HIS . 5.8 mmtt -142.72 73.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.91 -71.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.02 -157.34 15.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 2.8 p30 -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 96' ' ' GLU . 9.0 m-20 -59.98 84.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -44.1 -26.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 94' ' ' ASP . 45.6 mm-40 -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.26 8.52 44.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -96.95 -50.9 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -48.21 -43.47 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -100.36 81.47 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.598 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 154.72 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.429 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 6.9 p -148.74 18.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -88.73 95.93 2.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' GLY . 64.7 m -40.46 -55.57 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -108.33 85.82 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.78 38.57 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 36.4 p -122.92 166.17 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.1 0.22 16.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.0 m -106.45 -60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -115.23 89.5 21.13 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.759 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -91.51 140.01 2.45 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 122.081 0.944 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 3' ' ' VAL . 52.9 Cg_exo -45.77 132.26 13.5 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.328 . . . . 0.0 109.578 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.64 170.24 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.69 165.79 23.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 24.46 37.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.83 120.17 27.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -94.61 124.7 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mt -97.99 117.94 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -157.2 77.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.04 -14.06 45.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.72 111.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -125.2 134.5 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.3 127.43 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 t -89.83 132.05 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.2 t80 -117.82 148.57 41.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.26 119.61 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -69.61 -7.99 43.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.78 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' ' CG2' ' A' ' 28' ' ' THR . 73.3 p -97.58 33.26 2.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.6 p -155.93 31.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 28' ' ' THR . 48.9 m80 -165.3 32.76 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.771 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -83.2 -34.98 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 4.14 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.1 t -83.92 -71.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 161.1 116.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.97 -14.52 48.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -120.41 35.26 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -111.58 -27.59 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 83.1 m -106.74 -31.86 8.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -102.05 101.76 12.16 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.8 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -112.63 27.37 9.69 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.167 0.917 . . . . 0.0 109.754 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.1 mp0 -89.08 140.57 29.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -86.48 156.1 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.339 3.359 . . . . 0.0 109.614 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.33 -165.48 48.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 14.23 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.4 mmmt -104.44 22.67 14.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 3.9 tt0 -53.04 -21.51 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.62 19.1 17.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.827 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -72.51 146.16 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.95 151.72 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 m -86.95 -38.79 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 64.6 p -85.07 42.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.2 m -92.64 156.19 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' THR . 1.0 OUTLIER -38.02 130.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.19 49.82 74.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 51' ' ' THR . 14.3 m -149.88 -134.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.5 ' O ' ' CG2' ' A' ' 50' ' ' THR . 29.5 m-70 -100.57 62.58 1.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.777 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 12.4 t-20 -95.37 -42.81 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.21 115.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 27.8 mt -106.07 42.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.31 151.56 41.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -42.55 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.16 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.68 151.0 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 13.7 mmtt -110.22 -148.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m 67.4 165.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 73.0 t -92.2 35.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.78 10.81 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.46 109.7 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -47.24 -33.82 5.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 71.0 t80 -92.4 49.85 1.55 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.1 tptm -139.53 -59.17 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -3.97 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.434 HG13 ' CE1' ' A' ' 73' ' ' HIS . 18.4 t -94.89 -41.78 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 65.0 m80 -108.92 16.02 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.769 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 2.3 m-20 -78.1 77.06 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.8 -30.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.1 tptp -124.79 106.6 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.68 -126.1 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 -96.83 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.04 69.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -148.29 146.88 24.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.489 ' CG ' ' OD2' ' A' ' 36' ' ' ASP . 52.8 Cg_endo -61.79 165.92 13.03 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -107.45 -107.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.9 m -142.96 -47.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 mt -80.96 -19.07 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' CYS . 80.8 p -70.63 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' LYS . 53.5 t -40.28 -47.24 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.443 ' CE1' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.51 -60.59 3.32 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.748 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -50.71 -43.47 57.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.33 -24.96 62.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 2.2 mtmt -107.74 55.61 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . 168.81 -43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' HA3' ' CE ' ' A' ' 98' ' ' LYS . . . -36.15 94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -169.1 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -142.17 145.14 33.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -30.63 54.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.41 -44.81 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -4.73 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CE ' ' HA3' ' A' ' 92' ' ' GLY . 5.1 tptp -92.89 -29.57 15.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' GLY . 9.5 mtpp -63.17 -50.74 69.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 3.2 tttt -92.87 87.03 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.586 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.61 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 103' ' ' GLY . 15.4 p -145.58 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -31.71 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.499 ' C ' ' O ' ' A' ' 103' ' ' GLY . 13.4 m -34.07 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 92.69 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 117.89 32.91 1.34 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 15.6 p -128.76 148.01 50.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 0.801 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.74 -29.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.4 m -108.41 136.13 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 60.18 63.58 2.97 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.771 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.0 141.15 12.98 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.294 3.33 . . . . 0.0 109.608 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.078 0.942 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.536 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 8.4 Cg_exo -35.36 114.54 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.282 3.321 . . . . 0.0 109.622 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -169.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.68 168.8 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.76 21.21 37.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 85.76 7.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.69 121.99 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.6 mt -98.92 122.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -159.06 83.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -96.88 -20.68 17.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.1 mt -98.51 155.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.27 133.75 23.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 t -116.22 129.1 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.22 133.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -124.32 140.82 52.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -127.51 126.15 41.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 6.3 m80 -73.28 -35.02 66.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.791 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -61.47 -26.29 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 25' ' ' ASN . 70.3 p -89.72 12.42 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.89 35.68 0.61 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.779 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -29.99 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.41 2.46 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 25.2 t -102.14 142.61 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' VAL . 13.5 mmtm -40.18 137.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -85.73 16.97 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.59 25.91 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -101.77 -28.82 12.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -107.23 -33.4 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -101.65 80.22 2.02 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.728 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -93.42 34.79 1.13 Allowed 'General case' 0 CA--C 1.539 0.545 0 O-C-N 124.161 0.913 . . . . 0.0 109.79 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 5.0 mp0 -114.12 144.84 32.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLN . 61.1 Cg_endo -78.88 149.89 23.31 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . -37.21 -30.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -53.82 -49.79 67.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' CB ' ' HB1' ' A' ' 47' ' ' ALA . 1.4 mtpt -137.34 35.96 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -52.79 -61.21 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -85.06 9.24 15.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.831 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 44' ' ' LYS . . . -58.67 149.72 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -37.55 152.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.2 t -86.22 -40.93 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 12.8 p -99.79 30.52 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.85 177.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.3 t70 -66.06 147.7 52.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.94 14.55 24.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 21.6 m -115.65 -132.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.443 ' O ' ' CG2' ' A' ' 50' ' ' THR . 36.8 m-70 -104.78 67.7 0.82 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.748 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 18.1 p-10 -96.24 -43.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.65 117.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 26.0 mt -106.06 43.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.78 164.15 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -108.74 -51.28 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.02 -14.58 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.97 82.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 6.4 mmmt 76.94 -148.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 160.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -91.94 34.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 2.2 m-80 -127.77 17.23 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -98.89 110.84 23.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -48.39 -43.67 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 87.7 t80 -85.08 53.55 2.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.845 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.1 tptm -142.51 -59.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.42 -8.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 t -88.66 -38.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 39.6 m80 -111.95 17.83 19.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.771 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.472 ' CB ' HG22 ' A' ' 82' ' ' THR . 6.5 m-20 -78.67 61.41 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.13 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -56.29 -32.08 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.55 140.83 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.8 -137.49 4.82 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.39 88.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -125.39 147.77 58.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 10.5 Cg_endo -52.33 150.88 18.98 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.339 3.359 . . . . 0.0 109.57 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 74' ' ' ASP . 4.8 p -99.21 -107.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.395 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -144.59 -47.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 HG12 ' CB ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -80.22 -14.95 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' CYS . 88.1 p -76.43 -77.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 52.7 t -39.65 -39.81 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.51 ' CE1' HD13 ' A' ' 101' ' ' LEU . 5.4 m-70 -63.77 -53.07 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.779 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -61.85 -16.98 54.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 16.22 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 73.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.45 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.1 -153.87 21.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 1.3 p30 -75.05 -20.43 59.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 96' ' ' GLU . 4.8 m-20 -63.07 80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 2.6 pttm -44.78 -25.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 94' ' ' ASP . 1.2 tt0 -54.76 -33.28 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.6 7.59 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -102.2 -33.93 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -58.54 -36.78 74.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.516 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -107.5 81.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 100' ' ' LYS . 1.2 tp 171.28 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' GLY . 82.5 p -116.06 -26.56 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -43.71 170.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.8 OUTLIER -116.58 -75.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -80.51 90.65 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.33 31.49 1.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 56.2 p -128.43 163.86 23.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -25.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.9 m -117.39 145.0 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 6.9 m-70 56.31 63.33 5.86 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.765 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 88.5 Cg_endo -83.54 137.8 8.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.299 3.332 . . . . 0.0 109.602 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.066 0.936 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 72.8 Cg_endo -75.6 135.92 18.59 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.267 3.311 . . . . 0.0 109.563 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.98 171.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 172.23 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.36 33.16 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 112.45 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.08 115.23 26.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -97.43 111.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -150.41 87.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -98.93 -5.79 30.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -105.59 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 6.9 m -127.71 139.54 52.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 t -109.53 128.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.03 131.26 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.5 t80 -112.7 150.97 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -139.35 122.05 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 4' ' ' PRO . 25.1 m80 -79.04 -1.28 34.91 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.767 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 p -78.79 -30.12 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -102.48 23.67 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -147.87 32.16 0.85 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.735 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -89.11 -36.96 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.69 2.78 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 50.5 t -106.8 124.13 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -48.25 127.46 12.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -69.82 -8.65 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.6 OUTLIER -76.39 -29.09 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 70.3 m -113.53 -39.05 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -96.24 84.47 3.77 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -100.52 34.77 2.31 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.208 0.942 . . . . 0.0 109.789 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.48 107.61 49.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.63 156.48 21.41 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.324 3.35 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.53 -131.2 10.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -127.69 22.64 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.77 47.89 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -20.61 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -106.21 13.75 28.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . . . -49.2 151.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.41 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -36.68 140.71 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' CZ3' ' A' ' 68' ' ' TRP . 3.6 t -80.39 -41.13 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -102.0 40.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 1.8 m -73.45 172.98 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 5.2 p-10 -60.93 142.93 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.28 25.67 60.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.6 m -126.35 -133.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.451 ' O ' ' CG2' ' A' ' 50' ' ' THR . 28.7 m-70 -103.32 68.6 0.97 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.749 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.0 p-10 -97.14 -47.04 5.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -39.94 115.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.4 mt -105.05 43.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -131.39 177.13 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -136.85 34.57 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.32 13.49 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -18.64 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER 63.85 -145.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.2 m 61.47 161.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -91.86 38.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -125.32 18.98 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -106.85 106.74 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.444 ' CZ3' ' SG ' ' A' ' 49' ' ' CYS . 40.9 t-105 -43.35 -30.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.629 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 80.2 t80 -94.6 46.0 1.13 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.847 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -138.08 -59.81 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.2 m -68.82 -7.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.53 HG13 ' CE1' ' A' ' 73' ' ' HIS . 9.6 t -90.33 -43.26 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.6 m80 -108.11 18.03 21.63 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m-20 -79.54 70.66 6.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.79 -33.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 100.88 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.22 -129.71 1.51 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.76 -97.26 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -35.79 63.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -151.46 146.68 19.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 33.4 Cg_endo -60.12 161.64 18.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.301 3.334 . . . . 0.0 109.582 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 p -104.49 -111.3 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 60.8 m -139.23 -45.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.42 -26.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.0 p -63.27 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.501 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 52.9 t -36.95 -46.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 90' ' ' LYS . 5.3 m-70 -58.75 -63.59 1.24 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.753 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -18.33 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.58 26.46 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.501 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -146.27 45.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -160.65 36.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 27.4 -100.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.9 p-10 -153.61 43.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 22.5 t70 -93.31 176.57 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -99.05 -64.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.0 -30.13 46.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -94.28 8.33 42.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.42 -25.29 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -88.54 -52.52 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -42.5 -26.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -130.42 131.47 45.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.581 ' OG1' ' O ' ' A' ' 101' ' ' LEU . 1.4 p 72.99 3.22 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 107' ' ' SER . . . -83.98 92.45 1.7 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 103' ' ' GLY . 76.0 m -36.83 -59.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -114.12 97.98 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.0 40.08 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.2 p -144.75 152.88 41.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.68 -29.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 107' ' ' SER . 44.2 m -102.6 134.33 46.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.35 85.67 0.18 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.777 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -89.81 144.18 4.38 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.283 3.322 . . . . 0.0 109.615 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 122.062 0.934 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 29.8 Cg_endo -86.04 -178.56 2.89 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.332 3.355 . . . . 0.0 109.594 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 83.97 162.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -169.65 172.96 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.21 38.28 92.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.65 81.16 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' CG ' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.15 121.24 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.63 113.86 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -156.51 70.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -82.04 8.21 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -116.67 138.45 47.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.547 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 1.1 m -123.06 127.95 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 t -111.38 129.06 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -89.58 127.91 41.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 8.5 t80 -110.58 152.24 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.24 118.55 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.666 ' CD2' ' CG1' ' A' ' 3' ' ' VAL . 17.9 m80 -71.15 -4.21 24.19 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.759 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.429 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 20.0 p -97.76 24.27 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.0 p -147.48 27.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 28' ' ' THR . 55.4 m80 -163.17 31.99 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 27' ' ' SER . 4.3 mttm -80.94 -27.99 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 4.56 22.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.75 144.24 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 125.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' HIS . 77.9 m -66.94 -9.07 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -83.69 -14.5 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 -21.57 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -112.69 -38.22 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 34' ' ' CYS . 76.7 m-70 -116.74 84.45 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.784 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -95.13 33.58 1.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.144 0.902 . . . . 0.0 109.799 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.1 165.91 14.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.08 149.31 25.35 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.27 3.314 . . . . 0.0 109.593 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -56.67 102.07 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.2 m-20 157.88 -43.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.89 25.59 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 21.1 tt0 -52.45 -22.35 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -106.07 19.9 19.8 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.808 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.23 135.93 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.07 152.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -76.35 -46.87 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' THR . 76.1 p -59.38 -67.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.7 OUTLIER 35.09 -139.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.0 m-20 -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.91 44.32 87.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' THR . 19.9 m -141.71 -127.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' C ' ' HA ' ' A' ' 50' ' ' THR . 50.6 m-70 -100.87 59.97 0.94 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.751 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.7 t-20 -88.99 -46.37 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.02 114.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.9 mt -103.72 42.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 51.9 t0 -133.21 144.61 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.54 -6.09 53.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.2 87.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 119.91 20.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 13.62 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -73.44 167.51 21.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.5 t -91.55 35.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -128.71 18.04 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 111.18 23.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -46.16 -42.84 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 80.0 t80 -86.2 52.73 2.57 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.869 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -141.21 -59.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -3.94 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG13 ' CE1' ' A' ' 73' ' ' HIS . 21.7 t -94.57 -40.26 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.787 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 61.5 m80 -109.79 16.55 21.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.789 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m-20 -80.31 69.24 6.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.95 69.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -43.94 -44.95 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.54 140.6 6.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.71 -140.92 7.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.32 67.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 149.69 73.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.29 153.15 4.86 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.327 3.351 . . . . 0.0 109.599 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -104.48 -102.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.6 m -145.07 -46.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -22.34 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.9 p -68.4 -77.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.499 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 47.0 t -39.41 -45.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CE1' HD23 ' A' ' 101' ' ' LEU . 5.6 m-70 -58.04 -62.73 1.61 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.776 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -19.24 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.61 19.51 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -149.45 79.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.29 -54.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.44 -110.27 3.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 25.3 t70 -140.04 45.79 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 15.5 t70 -98.83 175.9 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' LYS . 28.4 mmtm -108.89 -66.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 99' ' ' LYS . 50.7 mm-40 -52.11 -32.4 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.76 -21.2 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -84.15 -30.05 26.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -84.9 -23.07 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -109.36 87.46 2.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.75 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 103' ' ' GLY . 36.8 p -137.93 -45.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.29 161.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -104.64 -75.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -76.0 94.32 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.12 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.91 160.96 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.32 -24.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 107' ' ' SER . 64.4 m -113.68 139.41 49.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 9.6 m-70 55.84 68.99 2.06 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 89.2 Cg_endo -89.63 140.93 3.75 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.341 3.36 . . . . 0.0 109.575 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.664 ' CG2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 122.032 0.92 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 43.5 Cg_endo -92.36 -166.75 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 83.9 167.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.17 169.53 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 42.83 96.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.77 87.97 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 9.5 tptt -69.32 109.55 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.2 mt -97.78 114.79 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -158.48 70.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -89.98 -25.41 20.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -93.47 99.06 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 1.7 m -138.97 152.02 47.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.59 128.48 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 37.5 t -94.03 134.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.0 t80 -114.61 150.24 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -142.05 118.37 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.664 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 40.1 m80 -68.5 -7.14 29.49 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.767 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.446 ' O ' ' CG2' ' A' ' 28' ' ' THR . 75.4 p -95.28 31.4 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.562 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.2 p -157.57 32.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 28' ' ' THR . 51.6 m80 -165.34 34.53 0.06 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.787 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -85.35 -35.2 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.87 3.02 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.2 t -85.11 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 6.2 mttt 161.07 137.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.46 -47.97 58.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -91.6 38.05 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -108.44 -28.9 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' OD2' ' A' ' 36' ' ' ASP . 86.4 m -108.62 -34.88 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -100.81 90.41 4.21 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.755 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -94.59 30.46 2.01 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.172 0.92 . . . . 0.0 109.796 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.6 mp0 -109.37 161.93 22.08 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.8 Cg_endo -76.66 140.63 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.352 . . . . 0.0 109.63 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.86 -30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -46.97 -28.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 1.2 mtmt -170.47 36.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 33.5 tt0 -53.93 -21.05 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.47 23.29 14.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . . . -83.92 145.92 28.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.18 153.01 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.1 m -76.61 -45.59 29.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' THR . 67.4 p -61.24 -66.74 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 33.77 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 42.6 t0 -118.63 140.87 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.78 42.03 84.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' THR . 24.0 m -139.26 -126.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.421 ' C ' ' HA ' ' A' ' 50' ' ' THR . 55.8 m-70 -101.59 59.0 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.747 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.2 t-20 -87.4 -47.27 8.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.22 116.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -105.92 42.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -133.68 145.38 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -87.92 -15.11 37.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.22 -72.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.47 114.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -90.76 80.27 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -149.97 170.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 p -91.05 34.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.03 10.38 10.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 m -101.63 116.11 32.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -50.94 -43.28 60.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 84.8 t80 -84.15 51.67 2.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.841 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.3 tptm -140.53 -58.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.2 m -71.39 -4.25 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.516 HG13 ' CE1' ' A' ' 73' ' ' HIS . 25.4 t -94.82 -40.76 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.804 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.9 m80 -109.89 16.21 22.12 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.742 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m-20 -77.99 73.47 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.86 -30.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -120.62 100.84 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.08 -125.46 0.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.35 -95.22 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.66 91.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -140.76 145.86 41.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 37.4 Cg_endo -61.81 163.78 18.02 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.298 3.332 . . . . 0.0 109.566 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -106.66 -112.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.2 m -138.53 -45.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -81.16 -20.57 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.3 p -69.06 -77.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 51.8 t -40.69 -47.93 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.593 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.14 -60.71 3.11 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -55.13 -30.94 60.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.95 9.8 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -145.46 61.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 171.32 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.61 -160.46 24.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -112.82 27.9 9.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 7.1 t70 -59.89 -16.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER 87.11 -61.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.09 -33.85 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -18.03 19.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -37.18 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -103.66 84.55 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 155.27 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' GLY . 43.3 p -131.59 -43.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -33.34 149.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 110' ' ' HIS . 37.3 m -87.09 -70.13 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -89.14 91.7 8.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.47 37.78 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 p -121.43 165.56 15.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.87 -0.52 16.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.6 m -107.95 -64.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 104' ' ' CYS . 43.0 m-70 -105.56 104.3 47.55 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.75 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -91.89 144.05 2.88 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.297 3.331 . . . . 0.0 109.59 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.062 0.935 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.586 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 75.7 Cg_endo -92.31 148.71 2.99 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.286 3.324 . . . . 0.0 109.563 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.17 -163.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 25.91 22.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 80.9 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.29 117.44 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.99 121.02 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -158.77 86.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -100.53 -5.97 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 159.82 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' ' 9' ' ' LYS . 1.7 m -153.09 131.69 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.98 130.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.79 131.82 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.1 t80 -116.66 149.69 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -136.76 140.08 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.586 ' CE1' ' HG3' ' A' ' 4' ' ' PRO . 17.4 m80 -95.75 -8.78 33.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.769 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -84.86 -18.88 33.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 p -105.96 23.14 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -153.88 39.97 0.49 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.774 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -32.68 10.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.03 6.85 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 3.0 t -87.97 -65.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 161.23 143.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.14 38.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -177.54 40.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -111.6 -29.08 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 m -109.78 -27.82 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -93.25 88.89 6.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.789 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -107.7 33.37 4.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.15 0.906 . . . . 0.0 109.785 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.56 92.24 16.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.78 123.61 5.34 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.341 3.361 . . . . 0.0 109.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.82 -114.14 1.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -120.01 -0.4 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 10.0 mtmt -92.37 -0.0 57.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -43.46 -41.16 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.62 26.39 10.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.856 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 44' ' ' LYS . . . -89.23 138.14 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.42 144.97 8.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -85.73 64.28 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.527 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.4 p -160.23 -38.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER -28.41 141.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' THR . 8.6 t70 -36.63 152.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 54' ' ' CYS . . . 58.82 38.88 93.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 53' ' ' GLY . 19.6 m -151.03 -132.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.416 ' C ' ' HA ' ' A' ' 50' ' ' THR . 34.7 m-70 -104.86 59.91 0.69 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.78 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 41.7 t-20 -84.7 -48.01 9.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -39.36 115.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 36.9 mt -104.9 41.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.96 138.86 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -92.18 38.66 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.24 -29.71 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.68 127.83 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -91.56 37.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -114.96 169.07 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.58 36.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -122.18 13.61 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.96 111.97 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 49' ' ' CYS . 49.1 t-105 -49.89 -26.29 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.731 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.7 t80 -98.16 44.92 1.03 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.801 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -137.84 -58.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.47 -4.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -94.91 -39.46 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.731 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 64.4 m80 -109.15 14.16 24.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.741 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.9 m-20 -74.94 62.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 84' ' ' ILE . . . -47.11 -28.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.08 132.64 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.76 -140.39 6.53 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.98 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HG3' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -134.3 135.82 24.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' HG3' ' A' ' 80' ' ' LYS . 13.4 Cg_endo -55.7 157.25 16.22 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.32 3.347 . . . . 0.0 109.597 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -106.4 -116.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.419 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.81 -43.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.26 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 75' ' ' ALA . 3.8 mt -82.08 -33.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 86' ' ' CYS . 23.0 p -53.78 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.7 t -39.22 -60.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.579 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.8 m-70 -44.25 -57.05 3.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.739 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -55.26 -30.34 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' CYS . 6.5 t0 -85.0 5.91 27.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.33 68.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.05 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -157.03 15.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 18.1 p-10 -77.58 -20.4 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.5 m-20 -59.43 85.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 98' ' ' LYS . 4.4 mtpp -45.08 -25.19 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 94' ' ' ASP . 19.5 tp10 -57.24 -34.91 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 4.58 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 95' ' ' LYS . 29.3 mtpt -98.62 -30.5 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 106' ' ' GLY . 23.8 mtpt -59.03 -43.24 91.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.2 tttt -102.01 79.71 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 155.05 -32.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.4 p -151.13 20.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -91.71 99.1 2.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.127 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 103' ' ' GLY . 85.4 m -39.56 -59.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' OXT' ' A' ' 112' ' ' SER . 5.8 ttmm -106.97 90.44 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 126.43 37.92 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 51.7 p -125.01 161.34 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.03 -7.31 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.8 m -97.01 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -107.81 101.93 42.84 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.76 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -92.64 146.7 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.475 ' OXT' ' HG3' ' A' ' 105' ' ' LYS . 71.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.58 HG22 ' CD2' ' A' ' 26' ' ' HIS . 11.4 p . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.079 0.942 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 40.8 Cg_endo -78.86 124.73 6.31 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.301 3.334 . . . . 0.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 160.38 169.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 173.52 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 42.09 99.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.72 89.12 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB3' ' CG2' ' A' ' 21' ' ' THR . 1.1 mptp? -70.36 109.37 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.99 109.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -151.9 68.23 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -79.73 -18.35 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 64.8 mt -105.89 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 1.8 m -116.3 139.56 50.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -125.54 130.16 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.423 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 40.2 t -92.41 131.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 9.5 t80 -115.71 152.44 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -140.84 124.58 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.58 ' CD2' HG22 ' A' ' 3' ' ' VAL . 27.6 m80 -74.55 -8.45 56.37 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.765 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.8 p -90.94 9.04 32.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 9.8 p -129.85 25.58 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 64.2 m80 -163.21 32.25 0.09 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.79 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -29.98 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.54 2.72 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.01 137.89 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -41.7 112.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.73 -23.81 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.93 34.87 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t0 -102.56 -30.59 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.4 m -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.316 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -97.22 84.79 3.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.715 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.17 33.08 2.02 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.163 0.915 . . . . 0.0 109.712 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 2.4 mp0 -107.67 138.65 20.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.77 155.28 8.79 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 0.0 109.577 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.68 -174.35 51.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -74.05 -4.35 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -91.87 13.27 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 3.6 tt0 -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -111.81 27.72 9.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 148.78 33.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -37.6 154.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 m -91.07 -41.15 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.7 p -86.71 38.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -103.14 90.31 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 51' ' ' THR . 10.2 t0 86.43 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' CYS . . . -39.54 -25.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' GLY . 66.9 m -31.09 -87.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 50' ' ' THR . 89.5 m-70 -140.97 56.37 1.56 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.741 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.0 p-10 -86.02 -51.28 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -37.16 115.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 38.3 mt -106.48 38.15 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 159.75 24.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -108.96 -32.63 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.62 66.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.58 111.02 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -63.13 -141.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 17.9 m 69.95 154.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.67 36.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -117.11 10.7 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -100.71 111.8 24.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -46.27 -45.51 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 107.938 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.644 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 80.8 t80 -83.34 55.02 3.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.7 tptm -140.36 -58.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -4.47 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.56 -40.42 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 52.7 m80 -111.24 18.1 19.63 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.737 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -80.31 77.0 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.19 69.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -62.39 -25.49 67.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.23 146.65 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.65 -148.14 6.96 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.49 -34.84 62.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.435 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -131.35 149.18 72.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 9.4 Cg_endo -51.24 153.42 9.64 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.274 3.316 . . . . 0.0 109.632 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -102.98 -104.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.7 m -148.77 -46.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -10.65 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 88' ' ' LYS . 73.0 p -83.04 -75.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.95 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.8 t -42.11 -33.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.436 ' ND1' ' HG ' ' A' ' 101' ' ' LEU . 5.5 m-70 -70.63 -51.93 24.74 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.736 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' SER . 6.0 tttt -65.45 -36.4 83.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.88 -9.8 47.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -125.74 41.01 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -129.45 20.89 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.26 -108.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.1 p-10 -153.26 42.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.32 175.62 5.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 9.9 tttt -94.65 -55.22 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -49.46 -39.95 35.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -23.67 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.72 -66.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' LYS . 11.3 tttt -38.69 -30.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.609 ' O ' ' OG1' ' A' ' 102' ' ' THR . 0.2 OUTLIER -123.7 122.48 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.609 ' OG1' ' O ' ' A' ' 101' ' ' LEU . 1.5 p 74.8 7.7 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 99' ' ' LYS . . . -80.27 154.25 36.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 62.9 m -98.99 -69.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -98.5 93.32 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.54 36.5 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 109' ' ' CYS . 1.3 p -130.26 157.42 42.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.63 -29.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.5 m -115.7 141.43 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.8 m-70 61.49 67.73 1.31 Allowed Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.745 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.622 ' O ' ' OXT' ' A' ' 112' ' ' SER . 74.1 Cg_endo -86.69 137.32 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.607 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.622 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 8.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.051 0.929 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 20.7 Cg_endo -60.58 134.23 53.31 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 0.0 109.578 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.19 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.75 175.7 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.6 28.04 22.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 120.31 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.531 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.78 109.36 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.0 mt -92.93 110.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -154.76 69.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -75.67 -14.21 60.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 58' ' ' LEU . 10.1 mt -104.62 155.52 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' C ' ' OG1' ' A' ' 21' ' ' THR . 16.8 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -152.49 140.26 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.7 t -123.13 125.4 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.6 128.48 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -120.93 144.8 48.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -129.43 124.12 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 4' ' ' PRO . 2.1 m80 -70.57 -38.14 74.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.74 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -51.99 -31.32 28.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -92.19 18.46 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.443 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' HIS . 50.1 m80 -150.67 30.56 0.66 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.774 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -24.39 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.93 1.78 33.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -111.44 133.33 57.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.34 116.53 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -55.8 -21.39 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -72.99 -16.99 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -74.0 -28.22 61.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 9.5 m -105.83 -47.46 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 94.7 m-70 -87.57 124.7 33.77 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.765 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -39.34 -61.08 0.83 Allowed 'General case' 0 CA--C 1.539 0.534 0 O-C-N 124.12 0.888 . . . . 0.0 109.792 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 3.2 mt-30 170.86 172.6 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' CD ' ' HG2' ' A' ' 40' ' ' GLN . 32.1 Cg_exo -56.43 145.94 76.54 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.358 3.372 . . . . 0.0 109.603 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.19 -162.09 35.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.99 -25.35 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CA ' ' HB1' ' A' ' 47' ' ' ALA . 19.5 mtmt -109.58 26.88 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' OE1' ' CD1' ' A' ' 46' ' ' TYR . 1.6 tm0? -49.12 -65.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 23.1 m-85 -84.1 8.99 13.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.775 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.468 ' HB1' ' CA ' ' A' ' 44' ' ' LYS . . . -49.45 156.4 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . -37.29 157.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.84 -38.2 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 7.2 p -102.3 24.63 9.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -58.74 161.25 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -52.97 143.78 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.9 34.66 79.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 8.8 m -138.01 -136.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 50' ' ' THR . 23.4 m-70 -98.28 66.01 1.73 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.771 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -97.01 -49.0 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -36.78 115.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 41.1 mt -106.36 37.29 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.67 138.95 41.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -96.89 50.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.05 -58.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.45 117.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.6 mmtt -76.65 -19.92 57.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' LYS . 3.0 m -38.62 154.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 3.0 p -89.76 41.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -136.13 22.66 3.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -98.97 119.7 38.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -55.82 -46.08 78.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.646 ' CD2' ' ND1' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -72.62 -0.21 12.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.819 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 7.8 tttm -106.0 3.17 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 ' CG1' ' ND1' ' A' ' 55' ' ' HIS . 7.1 m -115.06 9.56 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.4 t -129.7 -58.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' ND1' ' CD2' ' A' ' 69' ' ' TYR . 44.5 m80 -77.94 3.33 14.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.727 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 t0 -71.64 58.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.34 -32.97 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 77' ' ' GLY . 1.2 pttt -57.45 -49.33 76.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 76' ' ' LYS . . . 73.98 138.19 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.58 -139.17 8.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.86 51.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.9 144.49 52.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.09 152.71 57.17 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.294 3.329 . . . . 0.0 109.595 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -100.74 -98.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.1 m -146.81 -47.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 108.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -77.66 -32.48 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' CYS . 63.2 p -55.86 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 90' ' ' LYS . 46.3 t -41.67 -62.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 101' ' ' LEU . 6.8 m-70 -40.36 -57.49 1.75 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.745 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -51.95 -48.59 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.34 -22.95 66.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' CYS . 9.6 mmtt -106.97 54.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.44 31.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 44.42 -105.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -164.14 39.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.29 154.91 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -23.14 56.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -58.77 -44.76 90.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.3 1.54 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -100.65 -30.1 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -68.46 -32.91 73.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.487 ' O ' HD11 ' A' ' 101' ' ' LEU . 3.1 tttt -113.13 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 87' ' ' HIS . 1.9 tp 172.7 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 103' ' ' GLY . 58.8 p -126.74 -42.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -38.16 160.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.54 -77.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -72.31 92.53 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.46 33.21 2.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -132.79 161.26 34.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.976 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.86 -25.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' SER . 29.3 m -115.03 141.82 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 104' ' ' CYS . 5.0 m-70 56.09 69.07 1.98 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.762 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 98.8 Cg_endo -87.94 142.67 5.67 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.329 3.352 . . . . 0.0 109.577 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.647 ' CG1' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 122.077 0.941 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.47 ' CD ' HG13 ' A' ' 3' ' ' VAL . 71.8 Cg_endo -92.27 137.73 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.312 3.342 . . . . 0.0 109.572 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.81 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 171.83 13.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.32 22.27 32.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.81 74.28 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -50.7 138.74 17.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -113.14 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -158.13 71.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.68 -9.13 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -90.73 109.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -100.51 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 t -120.55 128.8 76.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.66 130.62 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -116.83 146.56 42.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -139.32 108.67 6.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.647 ' CD2' ' CG1' ' A' ' 3' ' ' VAL . 21.7 m80 -53.68 -31.18 46.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.771 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -52.28 -28.5 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -99.42 19.77 14.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' HIS . 44.3 m80 -156.48 39.7 0.34 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.725 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -101.97 -21.35 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.96 6.31 45.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 48.4 t -112.52 137.23 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -52.42 122.18 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -62.01 -16.97 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -77.97 -12.51 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 1.1 p-10 -77.29 -25.49 51.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 17.4 m -113.1 -39.87 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -104.33 81.92 1.87 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.76 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -89.88 32.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.084 0.865 . . . . 0.0 109.752 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.442 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.0 mp0 -95.58 168.41 10.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLN . 23.3 Cg_exo -62.74 140.46 80.59 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.359 3.373 . . . . 0.0 109.555 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.59 54.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -31.18 57.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 15.5 mmmt -115.75 -80.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 40.05 25.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 22.6 m-85 -143.52 18.79 1.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.863 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.15 145.92 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.61 161.23 1.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.6 m -74.03 -48.71 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 ' HA ' ' C ' ' A' ' 55' ' ' HIS . 77.5 p -61.59 -67.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.2 m 36.66 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -117.41 137.63 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.66 50.73 61.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 50' ' ' THR . 9.3 m -149.26 -131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.453 ' C ' ' HA ' ' A' ' 50' ' ' THR . 35.5 m-70 -95.74 60.72 2.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.755 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 33.5 t-20 -92.87 -41.32 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.82 114.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 25.5 mt -103.45 42.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 156.6 35.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -106.4 -39.03 6.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.68 -14.97 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.56 110.95 23.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -137.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t 68.37 156.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 77.3 t -91.74 35.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -118.98 10.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -96.85 107.07 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -44.61 -30.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.6 t80 -95.51 54.44 1.58 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.823 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.2 tptm -144.4 -58.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -3.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.37 -43.72 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.5 m80 -106.27 13.79 28.33 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.742 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.7 m-20 -77.1 67.77 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.38 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.88 -36.52 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.71 137.1 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.84 -139.89 6.01 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.81 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.42 148.55 61.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.58 156.17 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.337 3.358 . . . . 0.0 109.633 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 p -104.57 -105.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.2 m -145.32 -46.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -13.35 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' CYS . 79.7 p -77.2 -75.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.3 t -41.12 -44.43 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' HD13 ' A' ' 101' ' ' LEU . 6.0 m-70 -57.67 -54.13 50.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.803 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.35 79.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -13.82 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 57.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.51 -56.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.22 -102.75 2.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 21.5 t0 -142.46 46.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.68 175.5 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . 17.6 mttt -106.99 -64.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -57.4 -30.62 65.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.23 -2.02 57.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -110.97 -21.16 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 20.0 mtpp -80.7 -28.35 36.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.5 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.88 82.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 100' ' ' LYS . 1.1 tp 172.37 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 103' ' ' GLY . 68.2 p -125.09 -38.95 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.64 159.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.08 -76.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -74.6 94.38 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.71 32.93 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -134.09 161.88 33.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.58 -23.45 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.1 m -112.35 134.29 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 108.347 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 104' ' ' CYS . 8.5 m-70 57.78 70.63 1.24 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.75 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 86.5 Cg_endo -91.42 137.81 2.09 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.304 3.336 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 122.082 0.944 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 95.9 Cg_endo -74.16 104.94 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.372 3.382 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 162.06 167.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.1 175.58 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 33.16 85.48 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.48 76.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 0.718 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CG ' ' CG2' ' A' ' 21' ' ' THR . 2.8 tmtt? -58.18 114.32 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -93.39 106.48 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.98 71.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -86.8 -10.15 54.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.78 117.49 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.525 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 1.1 m -97.47 155.21 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.91 125.2 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.55 131.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.7 t80 -111.51 149.51 31.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.29 122.25 14.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CE1' HG13 ' A' ' 3' ' ' VAL . 26.9 m80 -69.33 -8.12 43.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.2 p -93.51 27.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 2.7 p -152.42 29.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 28' ' ' THR . 56.7 m80 -164.98 33.1 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.743 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -83.34 -26.54 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 5.64 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.2 t -105.65 134.54 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -40.07 114.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.5 t -51.72 -25.19 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -101.7 34.86 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.6 t0 -105.47 -30.78 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.7 m -105.7 -33.81 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -102.7 98.6 8.6 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.78 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -111.24 29.61 7.65 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.168 0.917 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.58 165.35 15.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.9 Cg_endo -76.88 152.34 32.12 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.3 3.334 . . . . 0.0 109.566 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.74 -30.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.2 t70 -72.36 66.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER 89.48 52.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -50.95 -23.24 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 24.78 12.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 44' ' ' LYS . . . -60.54 148.09 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -42.22 142.48 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -73.49 -44.22 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' THR . 72.3 p -64.04 -68.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.9 OUTLIER 32.73 -139.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 6.0 m-20 -119.83 142.64 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.72 37.14 67.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 50' ' ' THR . 30.9 m -134.27 -124.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' C ' ' HA ' ' A' ' 50' ' ' THR . 60.0 m-70 -104.69 58.02 0.7 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.764 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 10.7 p-10 -85.04 -47.76 9.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.97 115.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.7 mt -105.19 42.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -133.41 145.04 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.16 -29.7 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -18.51 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.71 135.43 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -100.36 123.38 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 159.93 163.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 76.5 t -91.82 33.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -119.38 9.03 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -97.72 116.93 30.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -53.19 -37.03 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.9 t80 -83.84 13.31 4.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.845 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.1 10.14 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.69 14.31 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.1 t -130.82 -57.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.3 m80 -80.51 1.98 27.22 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.744 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.2 t0 -69.77 60.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 73' ' ' HIS . . . -42.61 -28.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -66.29 -51.03 61.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 74.5 164.7 11.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -137.46 -135.95 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.62 -21.66 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.489 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 3.3 ttmt -141.81 139.66 18.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 28.8 Cg_endo -60.83 155.31 49.99 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.355 3.37 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -102.6 -101.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.5 m -140.57 -47.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -32.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' CYS . 45.8 p -55.56 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.1 t -39.14 -55.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -48.17 -58.33 4.67 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.779 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.44 -29.43 58.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.17 9.18 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -135.6 69.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -176.39 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.22 -113.72 2.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -136.1 49.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 25.8 t0 -98.51 177.56 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -99.51 -60.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 100' ' ' LYS . 6.7 mm-40 -56.57 -27.94 59.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.81 6.67 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -109.3 -24.96 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 31.76 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 39.5 tttt -133.63 -58.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.0 p -152.33 21.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.34 151.27 26.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 76.5 m -95.75 -65.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.643 ' HG2' ' OXT' ' A' ' 112' ' ' SER . 0.0 OUTLIER -105.51 92.1 4.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 119.38 36.56 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' N ' ' A' ' 109' ' ' CYS . 0.1 OUTLIER -133.28 161.83 33.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.86 -29.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 107' ' ' SER . 33.4 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 104' ' ' CYS . 2.2 m-70 56.25 88.56 0.12 Allowed Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.769 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -92.83 144.06 2.34 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.325 3.35 . . . . 0.0 109.601 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.643 ' OXT' ' HG2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.525 HG13 ' CZ ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.47 164.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.539 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -108.38 138.84 20.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 3' ' ' VAL . 11.2 Cg_endo -55.46 109.7 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' C ' ' CG ' ' A' ' 6' ' ' ASP . . . -42.44 -84.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -169.56 -177.35 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.87 26.33 22.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.75 102.85 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -79.26 110.87 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.32 107.36 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.91 69.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.0 5.25 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.8 158.04 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 61.64 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.04 118.25 10.71 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -72.6 146.95 39.56 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 1.2 tt0 38.77 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -70.15 61.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . 5.5 t-20 -40.46 158.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.93 118.1 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 1.6 m -130.87 130.33 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.8 t -112.72 127.66 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.59 128.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' CE2' ' C1D' ' A' ' 113' ' ' HEC . 37.9 t80 -112.71 147.41 36.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.07 125.47 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 32.1 m80 -73.4 -9.06 58.3 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.746 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 p -92.92 26.21 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.5 p -147.26 25.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 28' ' ' THR . 68.5 m80 -163.75 32.03 0.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -79.79 -27.36 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.21 6.94 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -106.32 140.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -43.59 112.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -51.08 -23.55 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -105.63 36.27 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.4 t0 -103.21 -30.39 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -106.03 -35.96 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -95.79 80.7 3.39 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.746 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -89.3 33.97 0.81 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.216 0.947 . . . . 0.0 109.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' HG2' ' CB ' ' A' ' 44' ' ' LYS . 1.2 mp0 -97.92 170.37 7.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 40' ' ' GLN . 56.8 Cg_endo -81.24 -57.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.32 3.347 . . . . 0.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.49 -60.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.27 -21.03 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' CB ' ' HG2' ' A' ' 40' ' ' GLN . 9.2 mtmp? -108.97 -15.32 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -47.11 -37.5 9.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' CZ ' HG13 ' A' ' 1' ' ' VAL . 10.4 m-30 -103.88 20.63 17.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.819 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 136.13 46.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -44.23 164.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.06 -48.8 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' THR . 71.6 p -55.78 -69.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER 34.77 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 13.2 t70 -116.19 141.68 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.67 46.62 74.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 25.1 m -144.29 -124.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' C ' ' HA ' ' A' ' 50' ' ' THR . 54.8 m-70 -104.16 59.0 0.72 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.731 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 16.4 p-10 -89.3 -44.59 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.6 114.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -104.98 42.03 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.92 151.3 39.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -102.4 -36.71 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.79 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.46 135.16 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 64' ' ' SER . 2.4 ttmt -88.23 -155.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 1.2 p 81.75 157.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 p -91.69 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 17.8 m120 -116.52 9.36 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.38 22.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -46.12 -36.22 5.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 108.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.768 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.2 t80 -92.2 53.4 2.13 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.808 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' SER . 13.7 tttt -144.49 -58.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.35 -2.11 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 t -95.37 -41.44 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.5 m80 -106.15 16.41 24.98 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.756 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.4 t0 -71.34 60.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.01 -29.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -66.34 -45.74 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 87.01 150.4 17.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.58 -146.0 6.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.5 -27.65 39.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -135.87 146.3 56.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -56.69 155.27 27.43 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 6.5 p -108.01 -107.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.423 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 62.6 m -135.99 -48.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -79.0 -31.82 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' CYS . 31.9 p -55.87 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.8 t -37.79 -56.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CE1' HD13 ' A' ' 101' ' ' LEU . 6.3 m-70 -47.95 -57.8 5.25 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.756 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -30.79 60.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 7.08 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -136.54 70.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.67 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 104.86 -150.74 17.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.51 24.1 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.767 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -97.73 85.85 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.1 mtpp -39.16 -30.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 94' ' ' ASP . 8.0 tp10 -53.86 -54.62 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD2' ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -91.7 1.12 57.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 102' ' ' THR . 0.0 OUTLIER -94.43 -32.59 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 95' ' ' LYS . 6.4 mtpt -65.27 -49.24 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -93.1 85.74 5.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.597 HD13 ' CE1' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 156.15 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' GLY . 25.5 p -140.41 -45.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.09 158.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 110' ' ' HIS . 13.4 m -95.57 -73.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -81.32 99.65 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 34.71 2.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.4 t -127.01 162.38 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' O ' ' SG ' ' A' ' 109' ' ' CYS . . . -83.04 49.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 108' ' ' ALA . 89.4 m -153.02 -49.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 104' ' ' CYS . 45.1 m-70 -129.65 79.78 72.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.746 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.17 138.02 8.68 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.432 ' C1D' ' CE2' ' A' ' 24' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.621 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.624 ' CHA' ' CGD' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 1' ' ' VAL . 2.8 t70 38.4 -160.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.74 133.4 20.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 87.4 Cg_exo -43.08 135.36 5.57 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.45 -160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.05 163.42 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.03 24.3 32.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.92 159.35 16.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.19 133.33 47.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -98.33 116.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -154.61 89.09 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -103.89 -49.23 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.1 mt -59.03 153.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -42.26 162.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.75 42.52 0.22 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.44 66.84 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -177.79 49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.83 61.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -86.0 -155.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.81 103.91 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -100.21 140.87 33.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.07 127.14 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -92.14 127.3 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 t80 -114.35 149.55 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.83 121.56 16.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 16.2 m80 -70.62 -8.36 51.15 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.748 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 p -87.94 -10.36 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.0 p -109.03 24.23 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 28' ' ' THR . 66.2 m80 -162.32 35.06 0.11 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.763 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -27.43 24.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.63 6.05 19.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LYS . 45.7 t -106.47 136.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -39.87 132.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.16 -5.7 37.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.24 12.99 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -83.51 -29.97 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.6 m -108.33 -40.51 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -93.34 94.37 8.7 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.773 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -104.6 30.46 5.39 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.146 0.904 . . . . 0.0 109.752 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.55 ' OE1' ' C1C' ' A' ' 114' ' ' HEC . 1.2 mp0 -92.32 139.54 24.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.44 156.05 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.379 3.386 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.2 -162.41 53.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -87.42 12.25 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -94.94 15.11 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 12.8 tt0 -52.75 -21.49 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.2 21.2 16.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.827 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.16 144.07 33.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -45.57 153.51 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.41 -39.01 15.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.404 ' HA ' ' C ' ' A' ' 55' ' ' HIS . 59.2 p -84.58 43.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.3 m -92.99 156.73 16.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.8 t70 -38.6 131.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.39 49.25 80.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -149.75 -133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.404 ' C ' ' HA ' ' A' ' 50' ' ' THR . 33.3 m-70 -100.77 63.05 1.03 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.738 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 15.9 t-20 -94.05 -39.63 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.16 115.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 21.8 mt -106.01 42.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -148.18 129.34 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -77.19 -15.76 59.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.58 -18.04 17.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.5 116.34 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -138.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t 68.05 163.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 73.7 t -92.06 35.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.35 7.27 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.95 109.64 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -47.29 -37.31 10.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.65 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 75.0 t80 -90.68 55.42 2.97 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.859 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.417 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 5.8 tptm -143.68 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -3.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 73' ' ' HIS . 20.1 t -95.12 -38.2 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.6 m80 -111.39 16.56 20.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.759 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 70' ' ' LYS . 4.3 m-20 -80.72 72.23 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -59.06 -25.06 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -60.51 -46.71 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.79 136.05 3.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.68 -143.82 8.04 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.54 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -145.55 147.02 31.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 15.4 Cg_endo -55.1 156.47 16.05 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -108.74 -104.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.415 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.5 m -142.4 -46.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG21 ' CB ' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -81.38 -24.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' CYS . 80.8 p -65.05 -77.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.8 t -40.46 -51.37 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 108.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.564 ' CE1' HD23 ' A' ' 101' ' ' LEU . 5.9 m-70 -52.65 -56.9 12.16 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.72 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -27.94 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.81 6.99 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -136.61 69.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.22 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.38 -156.62 24.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.13 -18.6 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 96' ' ' GLU . 5.8 m-20 -61.09 82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.3 pttp -47.94 -23.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 94' ' ' ASP . 68.6 mt-10 -56.85 -34.9 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.49 7.57 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -32.3 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -59.58 -35.4 74.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.54 86.85 2.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.574 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.74 -25.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 103' ' ' GLY . 34.0 p -136.98 -45.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.07 162.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -105.68 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -75.58 93.19 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.63 30.66 2.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.42 157.62 42.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -27.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 68.9 m -111.06 139.75 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.42 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 11.0 m-70 55.89 66.83 3.3 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.76 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 67.8 Cg_endo -87.65 139.35 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.372 3.382 . . . . 0.0 109.632 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.492 ' CGD' ' CHA' ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.55 ' C1C' ' OE1' ' A' ' 40' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.61 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.643 ' CGA' ' CD1' ' A' ' 69' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 1' ' ' VAL . 1.8 t70 35.55 -156.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.518 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -143.9 138.42 15.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.58 ' CG ' ' CE1' ' A' ' 26' ' ' HIS . 19.1 Cg_endo -58.86 127.71 25.36 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.328 3.352 . . . . 0.0 109.593 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' PRO . . . -57.19 -162.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.01 169.86 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.25 23.27 35.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.68 113.53 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -85.93 124.06 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.45 114.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -155.52 71.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -81.42 -12.2 59.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 14' ' ' ALA . 2.2 mt -86.94 144.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' N ' HG21 ' A' ' 13' ' ' ILE . . . -103.31 61.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.03 160.88 50.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.06 -151.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -52.18 -20.85 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 60.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -65.08 93.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt -91.12 100.59 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.24 134.06 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.94 128.57 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 t -88.6 130.51 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' CE2' ' C1D' ' A' ' 113' ' ' HEC . 15.2 t80 -119.57 148.81 42.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.21 126.62 18.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 4' ' ' PRO . 20.9 m80 -73.76 -12.65 60.77 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.771 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.9 p -91.11 29.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 6.2 p -151.2 28.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 57.3 m80 -164.42 32.75 0.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.782 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -85.64 -29.82 23.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.84 5.72 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.7 t -88.01 -69.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER 161.4 142.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.81 38.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 2.1 p-10 -171.77 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -114.91 -30.04 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 m -109.31 -20.67 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.01 81.84 1.6 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.776 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -96.65 34.26 1.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.119 0.887 . . . . 0.0 109.79 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.44 167.22 11.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' GLN . 33.8 Cg_exo -57.99 165.19 7.12 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 0.0 109.568 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -2.52 67.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.55 -6.42 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HE2' ' CB ' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -137.1 15.51 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 4.5 tt0 -51.38 -23.0 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -113.16 26.31 10.58 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.804 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HE2' ' A' ' 44' ' ' LYS . . . -79.21 154.79 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.48 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -36.31 153.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.52 -38.44 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 22.2 p -107.32 38.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.98 169.11 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.431 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -53.65 145.19 15.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.95 34.66 72.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.6 m -139.11 -135.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.503 ' O ' ' CG2' ' A' ' 50' ' ' THR . 23.3 m-70 -102.34 75.47 1.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.795 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.1 t-20 -101.99 -47.67 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -38.31 116.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 40.4 mt -105.86 42.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 33.2 t0 -133.68 156.8 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -103.6 -26.51 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.75 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -109.53 127.75 54.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.5 tttt -87.84 -150.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 84.83 166.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.3 t -92.07 34.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -124.72 14.84 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -106.07 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -43.81 -30.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.025 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.725 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 77.3 t80 -96.08 50.52 1.18 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.793 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -140.35 -58.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -2.32 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.23 -40.28 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.725 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.8 m80 -109.6 15.17 23.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.786 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.9 m-20 -77.51 67.54 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 84' ' ' ILE . . . -52.78 -27.43 17.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -58.34 -54.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.11 130.94 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.23 -140.97 8.78 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -28.8 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -136.51 146.31 55.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 14.6 Cg_endo -55.14 155.58 18.87 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.325 3.35 . . . . 0.0 109.614 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 p -105.94 -108.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.4 m -136.8 -46.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.453 HG21 ' CB ' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -80.03 -30.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' CYS . 43.4 p -58.09 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.7 t -37.66 -54.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.561 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.1 m-70 -50.41 -59.74 3.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -28.26 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.49 10.25 28.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -136.72 70.2 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.16 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . . . 93.4 -154.22 21.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 22.6 p-10 -74.12 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -62.75 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -47.54 -23.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 94' ' ' ASP . 28.0 tp10 -55.76 -33.54 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.1 4.14 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 92' ' ' GLY . 16.1 mmtp -97.36 -38.79 9.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.15 -34.48 68.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.16 86.17 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.78 -25.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' GLY . 37.7 p -135.54 -46.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.05 162.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.28 -76.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -74.52 93.86 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.44 31.18 2.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.62 158.81 41.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.737 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.98 -26.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.524 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 68.1 m -112.15 140.88 46.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 14.8 m-70 55.63 65.78 4.25 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.748 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 69.3 Cg_endo -86.42 140.6 6.42 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.266 3.311 . . . . 0.0 109.644 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.499 ' CMC' ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.48 ' CMC' ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.615 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.622 ' CHA' ' CGD' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.506 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' VAL . 14.0 m-20 -40.26 161.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.564 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -96.24 162.11 24.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' A' ' 3' ' ' VAL . 58.6 Cg_endo -86.45 137.15 4.9 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.295 3.33 . . . . 0.0 109.636 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.07 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.29 178.31 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.63 23.42 30.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.02 162.75 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -140.97 120.7 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.7 mt -98.57 120.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -157.59 89.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.51 1.01 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -108.88 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.82 163.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.68 129.95 1.08 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 18' ' ' LYS . . . -57.94 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -39.8 -29.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 16' ' ' GLY . 3.3 tttp -87.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.25 171.85 9.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.48 131.06 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 HG23 ' CG ' ' A' ' 9' ' ' LYS . 1.1 m -136.12 128.93 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.47 128.62 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 t -89.48 129.92 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CZ ' ' CHD' ' A' ' 113' ' ' HEC . 9.4 t80 -112.76 144.27 42.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -133.49 121.56 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' CE1' ' CG ' ' A' ' 4' ' ' PRO . 17.1 m80 -72.29 -32.55 66.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.789 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -51.31 -33.33 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.5 ' CG2' ' O1A' ' A' ' 115' ' ' HEC . 2.5 p -97.57 18.32 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.419 ' CG ' HBC3 ' A' ' 113' ' ' HEC . 40.6 m80 -149.72 34.12 0.69 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.777 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -32.34 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.41 4.77 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.8 128.66 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.88 120.65 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' HIS . 1.6 m -60.26 -20.69 60.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -75.36 -14.24 60.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -76.52 -24.26 53.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 26.1 m -112.68 -40.73 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' CYS . 98.2 m-70 -100.21 87.44 3.44 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.752 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -99.96 36.43 1.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.119 0.887 . . . . 0.0 109.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 6.6 mm100 -102.94 105.12 43.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 42' ' ' GLY . 59.6 Cg_endo -77.21 -27.42 6.67 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.275 3.317 . . . . 0.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -52.19 -172.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.522 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 30.0 t70 -90.36 38.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 12.7 mtmt -161.6 61.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 2.1 tt0 -51.48 -22.18 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.653 ' CE1' ' CHB' ' A' ' 113' ' ' HEC . 23.2 m-85 -100.39 19.37 16.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.831 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -66.76 142.54 57.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -47.83 146.44 4.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.7 m -73.56 -44.11 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' THR . 54.5 p -64.88 -69.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER 34.24 -141.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -115.27 140.26 49.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 15.1 m -146.18 -128.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' C ' ' HA ' ' A' ' 50' ' ' THR . 40.1 m-70 -100.99 56.06 0.85 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.795 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.9 p-10 -85.86 -46.55 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.38 115.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.0 mt -105.5 42.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.44 165.5 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -34.97 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.88 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.02 115.09 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -138.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.6 t 69.41 159.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 70.3 t -92.11 35.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 1.7 m-80 -118.44 10.35 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.24 110.25 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -46.64 -31.1 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.796 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 72.8 t80 -94.46 47.48 1.18 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.82 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -139.1 -59.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.62 -6.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -91.58 -41.47 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.796 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.0 m80 -108.06 15.67 24.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' LYS . 4.0 m-20 -77.8 66.58 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.29 -28.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.7 tptt -115.72 85.59 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -122.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.04 -99.4 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.477 ' CB ' ' CGA' ' A' ' 114' ' ' HEC . . . -62.24 -41.15 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' CB ' HBA2 ' A' ' 114' ' ' HEC . 0.0 OUTLIER -132.71 144.96 55.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 57.8 Cg_endo -66.61 163.19 33.79 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.278 3.319 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.4 p -107.63 -110.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.9 m -137.87 -45.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.82 -27.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' CYS . 66.2 p -61.99 -81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.2 t -36.4 -48.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.446 ' CE1' HD23 ' A' ' 101' ' ' LEU . 5.5 m-70 -55.82 -58.42 7.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.71 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -48.59 76.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -16.09 64.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' CYS . 63.8 mmtt -109.71 32.5 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -135.14 24.4 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.68 -134.47 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -112.16 -15.35 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.75 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.2 m-20 -64.81 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -44.46 -25.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 94' ' ' ASP . 58.5 tt0 -56.06 -35.29 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -8.73 58.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -84.92 -32.86 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -53.38 -38.62 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -115.83 88.9 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.57 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.87 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' GLY . 47.4 p -136.5 -44.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.57 162.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -105.52 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 93.32 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.66 30.63 2.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.77 160.65 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.018 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.13 -19.76 5.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.499 ' HB2' ' CMC' ' A' ' 116' ' ' HEC . 94.1 m -113.16 118.93 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 108.269 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.0 m-70 69.71 69.71 0.39 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.73 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.446 ' O ' ' OXT' ' A' ' 112' ' ' SER . 71.7 Cg_endo -87.17 140.27 5.54 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.294 3.33 . . . . 0.0 109.56 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 9.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.653 ' CHB' ' CE1' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.493 HBA2 ' CB ' ' A' ' 80' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.617 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.499 ' CMC' ' HB2' ' A' ' 109' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.52 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 2.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' VAL . 1.4 m-20 -36.65 153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.606 HG13 ' CD2' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -111.6 175.69 1.79 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 3' ' ' VAL . 59.1 Cg_endo -85.26 137.17 5.96 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 0.0 109.584 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -177.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.18 172.44 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.45 22.2 35.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.21 82.53 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -56.25 124.48 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.45 117.44 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -155.98 82.64 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -96.86 -13.99 22.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.487 HD11 ' CGA' ' A' ' 116' ' ' HEC . 35.0 mt -105.83 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.73 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.16 161.58 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.75 -177.86 2.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 4.0 tt0 -38.92 -87.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.383 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -40.37 98.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLU . 22.7 t-20 -40.31 131.61 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -106.33 92.77 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.41 135.04 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.68 130.59 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.84 132.86 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -123.5 145.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -135.38 124.12 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.606 ' CD2' HG13 ' A' ' 3' ' ' VAL . 10.0 m80 -70.37 -12.49 61.62 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.758 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 p -84.98 -15.01 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 29.5 p -103.27 22.1 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' THR . 67.7 m80 -161.18 35.39 0.14 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.77 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.24 -29.44 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.98 6.38 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.0 t -102.7 138.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ASP . 1.2 mptt -39.77 111.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -52.97 -21.97 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -105.81 31.14 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.7 t0 -100.38 -29.53 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.2 m -106.3 -36.42 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -98.3 84.49 3.24 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.767 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -88.61 33.02 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.102 0.876 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.6 mp0 -91.72 170.6 9.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 40' ' ' GLN . 61.1 Cg_endo -85.53 -57.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.299 3.333 . . . . 0.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.7 -63.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.96 -19.7 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -107.94 -15.19 14.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 29.8 tt0 -46.05 -36.25 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 6.0 m-85 -108.04 23.49 14.4 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.793 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.28 154.46 17.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.51 152.49 0.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.14 -46.76 22.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' THR . 11.0 p -77.5 -51.38 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 31.94 -146.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -117.56 150.25 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.16 17.14 10.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 50' ' ' THR . 56.7 m -114.75 -99.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -132.14 63.36 1.62 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.788 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -92.51 -50.86 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -37.83 116.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 42.0 mt -105.6 42.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.96 170.67 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -119.1 -40.82 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.21 3.18 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.5 -39.89 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.78 -152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 22.8 t 67.67 159.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 88.0 t -91.87 35.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -125.58 15.67 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -102.05 112.21 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 108.02 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.79 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 86.7 t80 -85.88 55.83 3.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.777 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 64' ' ' SER . 16.6 tttt -146.01 -57.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.514 ' O ' ' CG2' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.6 -1.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.86 -38.09 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.2 m80 -108.22 17.29 22.4 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' GLY . 2.8 t0 -75.57 57.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.11 -31.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -59.19 -42.7 91.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 85.23 135.77 3.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.67 -141.72 7.41 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB2' ' CGA' ' A' ' 114' ' ' HEC . . . -57.76 -42.38 83.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 147.77 52.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.11 150.75 30.56 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 0.0 109.592 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 71' ' ' VAL . 3.2 p -102.96 -104.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.6 m -142.23 -47.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.4 -30.79 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 86' ' ' CYS . 62.9 p -59.79 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 85' ' ' SER . 44.5 t -36.15 -50.07 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.592 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.0 m-70 -55.55 -63.18 1.25 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -55.55 -25.36 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -93.84 13.48 22.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' HIS . 5.8 mmtt -142.72 73.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -178.91 -71.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.02 -157.34 15.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 2.8 p30 -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 96' ' ' GLU . 9.0 m-20 -59.98 84.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -44.1 -26.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 94' ' ' ASP . 45.6 mm-40 -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.26 8.52 44.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -96.95 -50.9 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -48.21 -43.47 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -100.36 81.47 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.598 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 154.72 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.429 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 6.9 p -148.74 18.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -88.73 95.93 2.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.504 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 64.7 m -40.46 -55.57 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -108.33 85.82 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.78 38.57 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 36.4 p -122.92 166.17 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.1 0.22 16.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 73.0 m -106.45 -60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.305 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -115.23 89.5 21.13 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.759 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -91.51 140.01 2.45 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.56 ' CHB' HG11 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.463 ' CGA' ' HB2' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.616 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.699 ' CGA' ' CD1' ' A' ' 69' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' VAL . 1.3 t70 39.15 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 1.9 p -158.08 138.43 9.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 3' ' ' VAL . 52.9 Cg_exo -45.77 132.26 13.5 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.328 . . . . 0.0 109.578 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.64 170.24 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.69 165.79 23.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 24.46 37.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.83 120.17 27.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -94.61 124.7 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mt -97.99 117.94 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -157.2 77.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.04 -14.06 45.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.5 OUTLIER -72.72 111.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 62.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . -106.96 125.17 7.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -45.88 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.88 16.08 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -85.1 -173.65 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -125.2 134.5 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.3 127.43 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 t -89.83 132.05 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.2 t80 -117.82 148.57 41.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.26 119.61 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -69.61 -7.99 43.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.78 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' ' CG2' ' A' ' 28' ' ' THR . 73.3 p -97.58 33.26 2.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.6 p -155.93 31.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 28' ' ' THR . 48.9 m80 -165.3 32.76 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.771 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -83.2 -34.98 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 4.14 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.1 t -83.92 -71.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.2 OUTLIER 161.1 116.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.97 -14.52 48.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -120.41 35.26 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -111.58 -27.59 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 83.1 m -106.74 -31.86 8.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -102.05 101.76 12.16 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.8 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -112.63 27.37 9.69 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.167 0.917 . . . . 0.0 109.754 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.1 mp0 -89.08 140.57 29.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -86.48 156.1 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.339 3.359 . . . . 0.0 109.614 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.33 -165.48 48.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 14.23 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 47' ' ' ALA . 1.4 mmmt -104.44 22.67 14.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 3.9 tt0 -53.04 -21.51 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.42 ' CE2' ' CG1' ' A' ' 1' ' ' VAL . 0.3 OUTLIER -100.62 19.1 17.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.827 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . -72.51 146.16 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -45.95 151.72 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 m -86.95 -38.79 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 64.6 p -85.07 42.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.2 m -92.64 156.19 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' THR . 1.0 OUTLIER -38.02 130.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.19 49.82 74.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 51' ' ' THR . 14.3 m -149.88 -134.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.5 ' O ' ' CG2' ' A' ' 50' ' ' THR . 29.5 m-70 -100.57 62.58 1.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.777 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 12.4 t-20 -95.37 -42.81 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.21 115.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 27.8 mt -106.07 42.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.31 151.56 41.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -42.55 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.16 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.68 151.0 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 13.7 mmtt -110.22 -148.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m 67.4 165.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 73.0 t -92.2 35.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.78 10.81 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.46 109.7 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -47.24 -33.82 5.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 71.0 t80 -92.4 49.85 1.55 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.1 tptm -139.53 -59.17 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.96 -3.97 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG13 ' CE1' ' A' ' 73' ' ' HIS . 18.4 t -94.89 -41.78 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 65.0 m80 -108.92 16.02 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.769 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 2.3 m-20 -78.1 77.06 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.8 -30.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.1 tptp -124.79 106.6 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.68 -126.1 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 -96.83 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.534 ' CB ' ' CGA' ' A' ' 114' ' ' HEC . . . -58.1 -34.04 69.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -148.29 146.88 24.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.489 ' CG ' ' OD2' ' A' ' 36' ' ' ASP . 52.8 Cg_endo -61.79 165.92 13.03 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -107.45 -107.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.426 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.9 m -142.96 -47.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.441 HD13 ' CHC' ' A' ' 116' ' ' HEC . 1.6 mt -80.96 -19.07 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' CYS . 80.8 p -70.63 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' LYS . 53.5 t -40.28 -47.24 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.443 ' CE1' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.51 -60.59 3.32 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.748 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -50.71 -43.47 57.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.33 -24.96 62.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' CYS . 2.2 mtmt -107.74 55.61 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . 168.81 -43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' HA3' ' CE ' ' A' ' 98' ' ' LYS . . . -36.15 94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -169.1 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -142.17 145.14 33.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -30.63 54.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.41 -44.81 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.77 -4.73 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CE ' ' HA3' ' A' ' 92' ' ' GLY . 5.1 tptp -92.89 -29.57 15.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' GLY . 9.5 mtpp -63.17 -50.74 69.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.586 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 3.2 tttt -92.87 87.03 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.586 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.61 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 103' ' ' GLY . 15.4 p -145.58 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -31.71 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.499 ' C ' ' O ' ' A' ' 103' ' ' GLY . 13.4 m -34.07 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 92.69 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 117.89 32.91 1.34 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 15.6 p -128.76 148.01 50.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 0.801 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.404 ' HB1' ' CMA' ' A' ' 115' ' ' HEC . . . -39.74 -29.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.476 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.4 m -108.41 136.13 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 60.18 63.58 2.97 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.771 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.0 141.15 12.98 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.294 3.33 . . . . 0.0 109.608 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.486 ' CHD' ' CZ ' ' A' ' 24' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.534 ' CGA' ' CB ' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.614 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.497 ' CMB' ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.535 ' O ' ' CG2' ' A' ' 3' ' ' VAL . 0.4 OUTLIER -125.03 -58.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 161.89 97.41 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.536 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 8.4 Cg_exo -35.36 114.54 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.282 3.321 . . . . 0.0 109.622 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -169.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.68 168.8 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.76 21.21 37.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 85.76 7.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.69 121.99 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.6 mt -98.92 122.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -159.06 83.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -96.88 -20.68 17.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.1 mt -98.51 155.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 60.08 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' HA3' ' CGA' ' A' ' 116' ' ' HEC . . . -38.12 140.12 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -67.57 -82.26 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.57 96.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 47.0 -142.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -96.63 128.7 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.8 mt -101.56 123.17 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.27 133.75 23.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 t -116.22 129.1 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.22 133.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CZ ' ' CHD' ' A' ' 113' ' ' HEC . 29.3 t80 -124.32 140.82 52.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -127.51 126.15 41.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 6.3 m80 -73.28 -35.02 66.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.791 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -61.47 -26.29 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 25' ' ' ASN . 70.3 p -89.72 12.42 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.89 35.68 0.61 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.779 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -29.99 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.41 2.46 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 25.2 t -102.14 142.61 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' VAL . 13.5 mmtm -40.18 137.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -85.73 16.97 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.59 25.91 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -101.77 -28.82 12.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -107.23 -33.4 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -101.65 80.22 2.02 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.728 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -93.42 34.79 1.13 Allowed 'General case' 0 CA--C 1.539 0.545 0 O-C-N 124.161 0.913 . . . . 0.0 109.79 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 5.0 mp0 -114.12 144.84 32.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLN . 61.1 Cg_endo -78.88 149.89 23.31 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . -37.21 -30.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -53.82 -49.79 67.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' CB ' ' HB1' ' A' ' 47' ' ' ALA . 1.4 mtpt -137.34 35.96 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -52.79 -61.21 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -85.06 9.24 15.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.831 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 44' ' ' LYS . . . -58.67 149.72 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -37.55 152.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.2 t -86.22 -40.93 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 12.8 p -99.79 30.52 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.85 177.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.3 t70 -66.06 147.7 52.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.94 14.55 24.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 21.6 m -115.65 -132.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.443 ' O ' ' CG2' ' A' ' 50' ' ' THR . 36.8 m-70 -104.78 67.7 0.82 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.748 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 18.1 p-10 -96.24 -43.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.65 117.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 26.0 mt -106.06 43.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.78 164.15 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -108.74 -51.28 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.02 -14.58 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.97 82.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 6.4 mmmt 76.94 -148.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 160.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.9 p -91.94 34.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 2.2 m-80 -127.77 17.23 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -98.89 110.84 23.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -48.39 -43.67 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.656 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 87.7 t80 -85.08 53.55 2.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.845 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.1 tptm -142.51 -59.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.42 -8.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 t -88.66 -38.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 39.6 m80 -111.95 17.83 19.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.771 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.472 ' CB ' HG22 ' A' ' 82' ' ' THR . 6.5 m-20 -78.67 61.41 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.43 -29.13 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -56.29 -32.08 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.55 140.83 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.8 -137.49 4.82 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.39 88.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -125.39 147.77 58.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 10.5 Cg_endo -52.33 150.88 18.98 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.339 3.359 . . . . 0.0 109.57 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.472 HG22 ' CB ' ' A' ' 74' ' ' ASP . 4.8 p -99.21 -107.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.395 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -144.59 -47.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 HG12 ' CB ' ' A' ' 102' ' ' THR . 0.1 OUTLIER -80.22 -14.95 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 86' ' ' CYS . 88.1 p -76.43 -77.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 52.7 t -39.65 -39.81 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.51 ' CE1' HD13 ' A' ' 101' ' ' LEU . 5.4 m-70 -63.77 -53.07 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.779 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -61.85 -16.98 54.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 16.22 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 73.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.45 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.1 -153.87 21.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 1.3 p30 -75.05 -20.43 59.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 96' ' ' GLU . 4.8 m-20 -63.07 80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 2.6 pttm -44.78 -25.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 94' ' ' ASP . 1.2 tt0 -54.76 -33.28 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.6 7.59 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -102.2 -33.93 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -58.54 -36.78 74.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.516 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -107.5 81.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 100' ' ' LYS . 1.2 tp 171.28 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' GLY . 82.5 p -116.06 -26.56 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -43.71 170.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.8 OUTLIER -116.58 -75.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -80.51 90.65 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.33 31.49 1.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 56.2 p -128.43 163.86 23.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -25.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.9 m -117.39 145.0 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 6.9 m-70 56.31 63.33 5.86 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.765 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 88.5 Cg_endo -83.54 137.8 8.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.299 3.332 . . . . 0.0 109.602 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.528 ' C3A' ' HG3' ' A' ' 4' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.461 ' CMC' ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.6 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.636 ' CHA' ' CGD' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.474 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' VAL . 35.8 m-20 -42.76 163.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 m -66.99 152.49 95.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.57 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 72.8 Cg_endo -75.6 135.92 18.59 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.267 3.311 . . . . 0.0 109.563 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.98 171.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 172.23 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.36 33.16 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 112.45 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.08 115.23 26.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' CGD' ' A' ' 116' ' ' HEC . 55.7 mt -97.43 111.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' OD2' ' ND2' ' A' ' 19' ' ' ASN . 26.6 t0 -150.41 87.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -98.93 -5.79 30.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -105.59 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -43.65 67.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.99 -95.04 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.13 82.17 0.04 OUTLIER Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 36.7 tt0 55.65 165.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 40.33 48.56 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' ND2' ' OD2' ' A' ' 11' ' ' ASP . 14.9 p-10 -85.84 -177.34 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -122.66 143.98 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 6.9 m -127.71 139.54 52.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 t -109.53 128.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.03 131.26 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.5 t80 -112.7 150.97 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -139.35 122.05 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' CE1' ' HG3' ' A' ' 4' ' ' PRO . 25.1 m80 -79.04 -1.28 34.91 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.767 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 p -78.79 -30.12 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -102.48 23.67 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -147.87 32.16 0.85 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.735 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -89.11 -36.96 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.69 2.78 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 50.5 t -106.8 124.13 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -48.25 127.46 12.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -69.82 -8.65 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.6 OUTLIER -76.39 -29.09 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 70.3 m -113.53 -39.05 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -96.24 84.47 3.77 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -100.52 34.77 2.31 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.208 0.942 . . . . 0.0 109.789 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.48 107.61 49.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.63 156.48 21.41 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.324 3.35 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.53 -131.2 10.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -127.69 22.64 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.77 47.89 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -20.61 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 1.6 m-85 -106.21 13.75 28.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.872 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 48' ' ' GLY . . . -49.2 151.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.513 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -36.68 140.71 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' CZ3' ' A' ' 68' ' ' TRP . 3.6 t -80.39 -41.13 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 18.2 p -102.0 40.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 48' ' ' GLY . 1.8 m -73.45 172.98 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 5.2 p-10 -60.93 142.93 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.28 25.67 60.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.6 m -126.35 -133.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.451 ' O ' ' CG2' ' A' ' 50' ' ' THR . 28.7 m-70 -103.32 68.6 0.97 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.749 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.0 p-10 -97.14 -47.04 5.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -39.94 115.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.4 mt -105.05 43.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -131.39 177.13 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -136.85 34.57 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.32 13.49 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -18.64 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER 63.85 -145.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.2 m 61.47 161.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -91.86 38.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -125.32 18.98 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -106.85 106.74 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' CZ3' ' SG ' ' A' ' 49' ' ' CYS . 40.9 t-105 -43.35 -30.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.629 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 80.2 t80 -94.6 46.0 1.13 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.847 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -138.08 -59.81 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.2 m -68.82 -7.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.53 HG13 ' CE1' ' A' ' 73' ' ' HIS . 9.6 t -90.33 -43.26 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.6 m80 -108.11 18.03 21.63 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m-20 -79.54 70.66 6.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.79 -33.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 100.88 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.22 -129.71 1.51 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.76 -97.26 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.466 ' HB1' ' CGA' ' A' ' 114' ' ' HEC . . . -54.35 -35.79 63.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -151.46 146.68 19.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 33.4 Cg_endo -60.12 161.64 18.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.301 3.334 . . . . 0.0 109.582 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 p -104.49 -111.3 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 60.8 m -139.23 -45.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.42 -26.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.0 p -63.27 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.501 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 52.9 t -36.95 -46.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 90' ' ' LYS . 5.3 m-70 -58.75 -63.59 1.24 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.753 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -18.33 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.58 26.46 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.501 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -146.27 45.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.526 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -160.65 36.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 27.4 -100.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.9 p-10 -153.61 43.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 22.5 t70 -93.31 176.57 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -99.05 -64.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.0 -30.13 46.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -94.28 8.33 42.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.42 -25.29 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -88.54 -52.52 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -42.5 -26.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -130.42 131.47 45.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.581 ' OG1' ' O ' ' A' ' 101' ' ' LEU . 1.4 p 72.99 3.22 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 107' ' ' SER . . . -83.98 92.45 1.7 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.505 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 76.0 m -36.83 -59.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -114.12 97.98 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.0 40.08 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.2 p -144.75 152.88 41.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.68 -29.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 44.2 m -102.6 134.33 46.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.35 85.67 0.18 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.777 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -89.81 144.18 4.38 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.283 3.322 . . . . 0.0 109.615 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.48 ' CMC' ' OD1' ' A' ' 36' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.515 ' CGD' ' CMD' ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.607 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.505 ' CMB' ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.52 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 1' ' ' VAL . 7.0 m-20 -38.21 158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -114.09 80.91 5.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 29.8 Cg_endo -86.04 -178.56 2.89 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.332 3.355 . . . . 0.0 109.594 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 83.97 162.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -169.65 172.96 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.21 38.28 92.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.65 81.16 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' CG ' ' CG2' ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.15 121.24 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.63 113.86 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -156.51 70.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -82.04 8.21 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' CD1' ' CGA' ' A' ' 116' ' ' HEC . 1.1 mp -116.67 138.45 47.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.39 58.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.92 -80.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.597 1.185 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.72 -162.94 15.46 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' ASN . 17.7 tt0 -39.03 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -70.06 62.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.432 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 2.9 t-20 -50.12 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -136.08 110.65 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.547 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 1.1 m -123.06 127.95 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 t -111.38 129.06 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -89.58 127.91 41.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 8.5 t80 -110.58 152.24 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.24 118.55 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.666 ' CD2' ' CG1' ' A' ' 3' ' ' VAL . 17.9 m80 -71.15 -4.21 24.19 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.759 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.429 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 20.0 p -97.76 24.27 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.0 p -147.48 27.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 28' ' ' THR . 55.4 m80 -163.17 31.99 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 27' ' ' SER . 4.3 mttm -80.94 -27.99 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 4.56 22.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.75 144.24 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 125.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.562 ' SG ' ' HHC' ' A' ' 113' ' ' HEC . 77.9 m -66.94 -9.07 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -83.69 -14.5 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.44 -21.57 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' CBB' ' A' ' 114' ' ' HEC . 76.9 m -112.69 -38.22 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 34' ' ' CYS . 76.7 m-70 -116.74 84.45 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.784 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -95.13 33.58 1.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.144 0.902 . . . . 0.0 109.799 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.1 165.91 14.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.08 149.31 25.35 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.27 3.314 . . . . 0.0 109.593 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -56.67 102.07 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.2 m-20 157.88 -43.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.89 25.59 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 21.1 tt0 -52.45 -22.35 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 0.0 OUTLIER -106.07 19.9 19.8 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.808 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.23 135.93 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.07 152.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -76.35 -46.87 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' THR . 76.1 p -59.38 -67.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.7 OUTLIER 35.09 -139.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.0 m-20 -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.91 44.32 87.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' THR . 19.9 m -141.71 -127.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' C ' ' HA ' ' A' ' 50' ' ' THR . 50.6 m-70 -100.87 59.97 0.94 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.751 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.7 t-20 -88.99 -46.37 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.02 114.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.9 mt -103.72 42.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 51.9 t0 -133.21 144.61 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.54 -6.09 53.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.2 87.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 119.91 20.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 13.62 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -73.44 167.51 21.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.5 t -91.55 35.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -128.71 18.04 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 111.18 23.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -46.16 -42.84 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 80.0 t80 -86.2 52.73 2.57 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.869 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -141.21 -59.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -3.94 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG13 ' CE1' ' A' ' 73' ' ' HIS . 21.7 t -94.57 -40.26 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.787 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 61.5 m80 -109.79 16.55 21.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.789 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.2 m-20 -80.31 69.24 6.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.95 69.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -43.94 -44.95 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.54 140.6 6.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.71 -140.92 7.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' CB ' HBA2 ' A' ' 114' ' ' HEC . . . -54.75 -38.32 67.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 149.69 73.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.29 153.15 4.86 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.327 3.351 . . . . 0.0 109.599 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.5 p -104.48 -102.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.488 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 60.6 m -145.07 -46.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -81.76 -22.34 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.9 p -68.4 -77.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.499 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 47.0 t -39.41 -45.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CE1' HD23 ' A' ' 101' ' ' LEU . 5.6 m-70 -58.04 -62.73 1.61 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.776 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -19.24 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.61 19.51 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -149.45 79.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.29 -54.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.44 -110.27 3.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 25.3 t70 -140.04 45.79 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 15.5 t70 -98.83 175.9 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' LYS . 28.4 mmtm -108.89 -66.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' HA ' ' CD ' ' A' ' 99' ' ' LYS . 50.7 mm-40 -52.11 -32.4 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.76 -21.2 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -84.15 -30.05 26.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -84.9 -23.07 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -109.36 87.46 2.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 157.75 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 103' ' ' GLY . 36.8 p -137.93 -45.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.29 161.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -104.64 -75.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -76.0 94.32 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.12 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.91 160.96 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.32 -24.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 64.4 m -113.68 139.41 49.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.418 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 9.6 m-70 55.84 68.99 2.06 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 89.2 Cg_endo -89.63 140.93 3.75 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.341 3.36 . . . . 0.0 109.575 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.562 ' HHC' ' SG ' ' A' ' 34' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.495 ' CBB' ' O ' ' A' ' 37' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.614 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.636 ' CHA' ' CGD' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.497 ' O ' ' CG2' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.471 ' O ' ' CMB' ' A' ' 113' ' ' HEC . 7.3 t0 38.87 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.664 ' CG2' ' CD2' ' A' ' 26' ' ' HIS . 5.0 p -150.46 67.99 8.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 43.5 Cg_endo -92.36 -166.75 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 83.9 167.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.17 169.53 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 42.83 96.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.77 87.97 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 9.5 tptt -69.32 109.55 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.2 mt -97.78 114.79 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -158.48 70.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -89.98 -25.41 20.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -93.47 99.06 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.67 164.24 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.89 170.48 43.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.99 -165.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 18' ' ' LYS . 43.6 tt0 -38.86 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 66.79 77.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -82.64 138.52 34.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' CD1' HBA1 ' A' ' 116' ' ' HEC . 2.7 mt -95.75 129.73 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 1.7 m -138.97 152.02 47.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.59 128.48 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 37.5 t -94.03 134.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.0 t80 -114.61 150.24 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -142.05 118.37 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.664 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 40.1 m80 -68.5 -7.14 29.49 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.767 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.446 ' O ' ' CG2' ' A' ' 28' ' ' THR . 75.4 p -95.28 31.4 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.562 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.2 p -157.57 32.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 28' ' ' THR . 51.6 m80 -165.34 34.53 0.06 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.787 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CD ' ' C ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -85.35 -35.2 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.87 3.02 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.2 t -85.11 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 6.2 mttt 161.07 137.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.46 -47.97 58.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -91.6 38.05 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -108.44 -28.9 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' OD2' ' A' ' 36' ' ' ASP . 86.4 m -108.62 -34.88 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -100.81 90.41 4.21 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.755 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -94.59 30.46 2.01 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.172 0.92 . . . . 0.0 109.796 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.6 mp0 -109.37 161.93 22.08 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.8 Cg_endo -76.66 140.63 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.352 . . . . 0.0 109.63 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.86 -30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -46.97 -28.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 1.2 mtmt -170.47 36.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 33.5 tt0 -53.93 -21.05 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.47 23.29 14.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB2' ' CG ' ' A' ' 44' ' ' LYS . . . -83.92 145.92 28.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.18 153.01 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.1 m -76.61 -45.59 29.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' THR . 67.4 p -61.24 -66.74 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 33.77 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 42.6 t0 -118.63 140.87 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.78 42.03 84.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' THR . 24.0 m -139.26 -126.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' C ' ' HA ' ' A' ' 50' ' ' THR . 55.8 m-70 -101.59 59.0 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.747 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.2 t-20 -87.4 -47.27 8.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.22 116.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -105.92 42.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -133.68 145.38 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -87.92 -15.11 37.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.22 -72.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.47 114.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -90.76 80.27 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -149.97 170.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 HG12 ' CAD' ' A' ' 114' ' ' HEC . 5.7 p -91.05 34.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.03 10.38 10.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 m -101.63 116.11 32.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -50.94 -43.28 60.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 84.8 t80 -84.15 51.67 2.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.841 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.3 tptm -140.53 -58.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.2 m -71.39 -4.25 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG13 ' CE1' ' A' ' 73' ' ' HIS . 25.4 t -94.82 -40.76 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.804 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.9 m80 -109.89 16.21 22.12 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.742 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m-20 -77.99 73.47 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.86 -30.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -120.62 100.84 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.08 -125.46 0.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.35 -95.22 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.545 ' CB ' ' CGA' ' A' ' 114' ' ' HEC . . . -60.24 -40.66 91.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -140.76 145.86 41.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 37.4 Cg_endo -61.81 163.78 18.02 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.298 3.332 . . . . 0.0 109.566 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.9 p -106.66 -112.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.425 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.2 m -138.53 -45.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -81.16 -20.57 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.3 p -69.06 -77.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 51.8 t -40.69 -47.93 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.593 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.14 -60.71 3.11 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -55.13 -30.94 60.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.95 9.8 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -145.46 61.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 171.32 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.61 -160.46 24.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -112.82 27.9 9.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 7.1 t70 -59.89 -16.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER 87.11 -61.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.09 -33.85 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -18.03 19.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -37.18 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -103.66 84.55 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 155.27 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' GLY . 43.3 p -131.59 -43.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -33.34 149.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.51 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 37.3 m -87.09 -70.13 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -89.14 91.7 8.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.47 37.78 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 p -121.43 165.56 15.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.87 -0.52 16.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.6 m -107.95 -64.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 104' ' ' CYS . 43.0 m-70 -105.56 104.3 47.55 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.75 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -91.89 144.05 2.88 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.297 3.331 . . . . 0.0 109.59 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.539 ' C4B' HG22 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.545 ' CGA' ' CB ' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.614 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.51 ' CMB' ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER -40.2 159.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 m -60.92 167.78 3.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.586 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 75.7 Cg_endo -92.31 148.71 2.99 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.286 3.324 . . . . 0.0 109.563 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.17 -163.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 25.91 22.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 80.9 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.29 117.44 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.99 121.02 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -158.77 86.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -100.53 -5.97 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.65 159.82 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.05 164.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.07 149.97 17.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.53 -168.1 40.65 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 47.7 tt0 -39.6 159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 1.8 mtpm? 41.09 71.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LYS . 11.0 t-20 -40.02 120.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' HBA2 ' A' ' 116' ' ' HEC . 0.5 OUTLIER -93.53 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' ' 9' ' ' LYS . 1.7 m -153.09 131.69 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.98 130.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.79 131.82 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CD2' HMD2 ' A' ' 113' ' ' HEC . 6.1 t80 -116.66 149.69 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -136.76 140.08 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.586 ' CE1' ' HG3' ' A' ' 4' ' ' PRO . 17.4 m80 -95.75 -8.78 33.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.769 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -84.86 -18.88 33.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 p -105.96 23.14 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -153.88 39.97 0.49 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.774 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -32.68 10.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.03 6.85 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 3.0 t -87.97 -65.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 161.23 143.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.14 38.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -177.54 40.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -111.6 -29.08 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 m -109.78 -27.82 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -93.25 88.89 6.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.789 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -107.7 33.37 4.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.15 0.906 . . . . 0.0 109.785 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' OE1' ' CMC' ' A' ' 114' ' ' HEC . 4.2 mt-30 -111.56 92.24 16.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.78 123.61 5.34 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.341 3.361 . . . . 0.0 109.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.82 -114.14 1.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -120.01 -0.4 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HG2' ' CB ' ' A' ' 47' ' ' ALA . 10.0 mtmt -92.37 -0.0 57.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -43.46 -41.16 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' CE1' HMA2 ' A' ' 113' ' ' HEC . 26.7 m-85 -113.62 26.39 10.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.856 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 44' ' ' LYS . . . -89.23 138.14 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.42 144.97 8.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -85.73 64.28 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.527 ' O ' ' C ' ' A' ' 51' ' ' THR . 4.4 p -160.23 -38.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER -28.41 141.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' THR . 8.6 t70 -36.63 152.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 54' ' ' CYS . . . 58.82 38.88 93.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 53' ' ' GLY . 19.6 m -151.03 -132.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.416 ' C ' ' HA ' ' A' ' 50' ' ' THR . 34.7 m-70 -104.86 59.91 0.69 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.78 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 41.7 t-20 -84.7 -48.01 9.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -39.36 115.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 36.9 mt -104.9 41.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.96 138.86 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -92.18 38.66 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.24 -29.71 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.68 127.83 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -91.56 37.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -114.96 169.07 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.58 36.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -122.18 13.61 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.96 111.97 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 49' ' ' CYS . 49.1 t-105 -49.89 -26.29 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.731 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.7 t80 -98.16 44.92 1.03 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.801 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -137.84 -58.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.47 -4.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -94.91 -39.46 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.731 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 64.4 m80 -109.15 14.16 24.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.741 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.9 m-20 -74.94 62.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 84' ' ' ILE . . . -47.11 -28.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.08 132.64 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.76 -140.39 6.53 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.98 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' CB ' HBA1 ' A' ' 114' ' ' HEC . 0.1 OUTLIER -134.3 135.82 24.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' HG3' ' A' ' 80' ' ' LYS . 13.4 Cg_endo -55.7 157.25 16.22 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.32 3.347 . . . . 0.0 109.597 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -106.4 -116.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.419 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.81 -43.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.26 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 75' ' ' ALA . 3.8 mt -82.08 -33.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 86' ' ' CYS . 23.0 p -53.78 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.7 t -39.22 -60.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.579 ' CE1' HD23 ' A' ' 101' ' ' LEU . 6.8 m-70 -44.25 -57.05 3.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.739 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -55.26 -30.34 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' CYS . 6.5 t0 -85.0 5.91 27.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.33 68.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.05 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -157.03 15.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 18.1 p-10 -77.58 -20.4 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.5 m-20 -59.43 85.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 98' ' ' LYS . 4.4 mtpp -45.08 -25.19 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 94' ' ' ASP . 19.5 tp10 -57.24 -34.91 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 4.58 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.476 ' CG ' ' HA ' ' A' ' 95' ' ' LYS . 29.3 mtpt -98.62 -30.5 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 106' ' ' GLY . 23.8 mtpt -59.03 -43.24 91.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.2 tttt -102.01 79.71 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 155.05 -32.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.4 p -151.13 20.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -91.71 99.1 2.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.127 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.475 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 85.4 m -39.56 -59.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.475 ' HG3' ' OXT' ' A' ' 112' ' ' SER . 5.8 ttmm -106.97 90.44 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 126.43 37.92 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 51.7 p -125.01 161.34 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.03 -7.31 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.8 m -97.01 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -107.81 101.93 42.84 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.76 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -92.64 146.7 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.475 ' OXT' ' HG3' ' A' ' 105' ' ' LYS . 71.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.53 HMA2 ' CE1' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.478 HBA1 ' CB ' ' A' ' 80' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.614 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.5 ' CGD' ' C4D' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 40.2 m-20 -44.24 165.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.614 ' CG2' ' CHB' ' A' ' 113' ' ' HEC . 11.4 p -125.8 55.34 12.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 40.8 Cg_endo -78.86 124.73 6.31 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.301 3.334 . . . . 0.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 160.38 169.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 173.52 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 42.09 99.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.72 89.12 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB3' ' CG2' ' A' ' 21' ' ' THR . 1.1 mptp? -70.36 109.37 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.99 109.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -151.9 68.23 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -79.73 -18.35 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 64.8 mt -105.89 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ILE . . . -40.53 -44.51 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.16 -157.03 44.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.4 -175.82 50.47 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' ASN . 2.4 tt0 -40.46 -68.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 35.7 t-20 -43.23 139.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' N ' ' OD1' ' A' ' 19' ' ' ASN . 16.8 mt -108.21 97.4 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 1.8 m -116.3 139.56 50.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -125.54 130.16 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.423 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 40.2 t -92.41 131.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 9.5 t80 -115.71 152.44 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -140.84 124.58 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.58 ' CD2' HG22 ' A' ' 3' ' ' VAL . 27.6 m80 -74.55 -8.45 56.37 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.765 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.8 p -90.94 9.04 32.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 9.8 p -129.85 25.58 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 64.2 m80 -163.21 32.25 0.09 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.79 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -29.98 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.54 2.72 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.01 137.89 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -41.7 112.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.73 -23.81 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.93 34.87 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t0 -102.56 -30.59 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.4 m -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.316 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -97.22 84.79 3.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.715 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.17 33.08 2.02 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.163 0.915 . . . . 0.0 109.712 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 2.4 mp0 -107.67 138.65 20.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.77 155.28 8.79 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 0.0 109.577 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.68 -174.35 51.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -74.05 -4.35 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -91.87 13.27 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 3.6 tt0 -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' CZ ' HMB1 ' A' ' 113' ' ' HEC . 24.3 m-85 -111.81 27.72 9.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.846 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.18 148.78 33.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -37.6 154.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 m -91.07 -41.15 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.7 p -86.71 38.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -103.14 90.31 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 51' ' ' THR . 10.2 t0 86.43 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' CYS . . . -39.54 -25.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' GLY . 66.9 m -31.09 -87.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 50' ' ' THR . 89.5 m-70 -140.97 56.37 1.56 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.741 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.0 p-10 -86.02 -51.28 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -37.16 115.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 38.3 mt -106.48 38.15 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 159.75 24.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -108.96 -32.63 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.62 66.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.58 111.02 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -63.13 -141.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 17.9 m 69.95 154.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.486 HG13 ' CHA' ' A' ' 114' ' ' HEC . 13.2 t -91.67 36.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -117.11 10.7 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -100.71 111.8 24.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -46.27 -45.51 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 107.938 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.644 ' CD2' ' O ' ' A' ' 69' ' ' TYR . 80.8 t80 -83.34 55.02 3.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.7 tptm -140.36 -58.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.99 -4.47 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.56 -40.42 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 52.7 m80 -111.24 18.1 19.63 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.737 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -80.31 77.0 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.19 69.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -62.39 -25.49 67.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.23 146.65 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.65 -148.14 6.96 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.49 -34.84 62.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.435 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -131.35 149.18 72.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 9.4 Cg_endo -51.24 153.42 9.64 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.274 3.316 . . . . 0.0 109.632 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -102.98 -104.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.42 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 56.7 m -148.77 -46.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -10.65 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 88' ' ' LYS . 73.0 p -83.04 -75.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.95 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.436 ' HB3' ' C2C' ' A' ' 115' ' ' HEC . 43.8 t -42.11 -33.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.436 ' ND1' ' HG ' ' A' ' 101' ' ' LEU . 5.5 m-70 -70.63 -51.93 24.74 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.736 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 85' ' ' SER . 6.0 tttt -65.45 -36.4 83.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.88 -9.8 47.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -125.74 41.01 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -129.45 20.89 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.26 -108.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.1 p-10 -153.26 42.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.32 175.62 5.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 9.9 tttt -94.65 -55.22 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -49.46 -39.95 35.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -23.67 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.72 -66.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 99' ' ' LYS . 11.3 tttt -38.69 -30.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.609 ' O ' ' OG1' ' A' ' 102' ' ' THR . 0.2 OUTLIER -123.7 122.48 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.609 ' OG1' ' O ' ' A' ' 101' ' ' LEU . 1.5 p 74.8 7.7 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 99' ' ' LYS . . . -80.27 154.25 36.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.464 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 62.9 m -98.99 -69.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -98.5 93.32 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.54 36.5 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 109' ' ' CYS . 1.3 p -130.26 157.42 42.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.63 -29.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.5 m -115.7 141.43 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.8 m-70 61.49 67.73 1.31 Allowed Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.745 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.622 ' O ' ' OXT' ' A' ' 112' ' ' SER . 74.1 Cg_endo -86.69 137.32 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.607 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.622 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 8.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.614 ' CHB' ' CG2' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.486 ' CHA' HG13 ' A' ' 65' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.603 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.625 ' CGA' ' CD1' ' A' ' 69' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.407 HG11 ' H2 ' ' A' ' 1' ' ' VAL . 1.3 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.14 -165.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.486 ' CG1' ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -90.63 140.14 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.577 ' HG3' ' CE1' ' A' ' 26' ' ' HIS . 20.7 Cg_endo -60.58 134.23 53.31 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 0.0 109.578 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.19 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.75 175.7 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.6 28.04 22.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 120.31 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' N ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.78 109.36 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.0 mt -92.93 110.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -154.76 69.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -75.67 -14.21 60.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 58' ' ' LEU . 10.1 mt -104.62 155.52 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 165.04 11.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.75 -120.42 0.95 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.87 -137.02 2.15 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' ASN . 2.9 tt0 -39.77 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -60.77 83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' GLU . 8.4 t-20 -50.09 136.79 18.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' C ' ' OG1' ' A' ' 21' ' ' THR . 16.8 mt -112.85 115.13 27.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -152.49 140.26 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.7 t -123.13 125.4 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -87.6 128.48 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -120.93 144.8 48.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -129.43 124.12 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 4' ' ' PRO . 2.1 m80 -70.57 -38.14 74.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.74 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -51.99 -31.32 28.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -92.19 18.46 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.443 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' HIS . 50.1 m80 -150.67 30.56 0.66 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.774 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -24.39 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.93 1.78 33.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.7 t -111.44 133.33 57.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.34 116.53 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -55.8 -21.39 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -72.99 -16.99 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -74.0 -28.22 61.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 9.5 m -105.83 -47.46 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 94.7 m-70 -87.57 124.7 33.77 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.765 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -39.34 -61.08 0.83 Allowed 'General case' 0 CA--C 1.539 0.534 0 O-C-N 124.12 0.888 . . . . 0.0 109.792 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 3.2 mt-30 170.86 172.6 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' CD ' ' HG2' ' A' ' 40' ' ' GLN . 32.1 Cg_exo -56.43 145.94 76.54 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.358 3.372 . . . . 0.0 109.603 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.19 -162.09 35.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.99 -25.35 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.468 ' CA ' ' HB1' ' A' ' 47' ' ' ALA . 19.5 mtmt -109.58 26.88 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' OE1' ' CD1' ' A' ' 46' ' ' TYR . 1.6 tm0? -49.12 -65.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 23.1 m-85 -84.1 8.99 13.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.775 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.468 ' HB1' ' CA ' ' A' ' 44' ' ' LYS . . . -49.45 156.4 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.505 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -37.29 157.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.84 -38.2 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 55' ' ' HIS . 7.2 p -102.3 24.63 9.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -58.74 161.25 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -52.97 143.78 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.9 34.66 79.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 8.8 m -138.01 -136.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.514 ' O ' ' CG2' ' A' ' 50' ' ' THR . 23.4 m-70 -98.28 66.01 1.73 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.771 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -97.01 -49.0 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -36.78 115.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 41.1 mt -106.36 37.29 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.67 138.95 41.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -96.89 50.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.05 -58.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.45 117.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.6 mmtt -76.65 -19.92 57.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' LYS . 3.0 m -38.62 154.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' HBD2 ' A' ' 114' ' ' HEC . 3.0 p -89.76 41.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -136.13 22.66 3.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -98.97 119.7 38.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -55.82 -46.08 78.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.646 ' CD2' ' ND1' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -72.62 -0.21 12.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.819 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 7.8 tttm -106.0 3.17 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 ' CG1' ' ND1' ' A' ' 55' ' ' HIS . 7.1 m -115.06 9.56 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 83.4 t -129.7 -58.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' ND1' ' CD2' ' A' ' 69' ' ' TYR . 44.5 m80 -77.94 3.33 14.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.727 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLY . 1.2 t0 -71.64 58.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.34 -32.97 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 77' ' ' GLY . 1.2 pttt -57.45 -49.33 76.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 76' ' ' LYS . . . 73.98 138.19 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.58 -139.17 8.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.86 51.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' CD ' HBA1 ' A' ' 114' ' ' HEC . 0.8 OUTLIER -128.9 144.49 52.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.09 152.71 57.17 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.294 3.329 . . . . 0.0 109.595 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -100.74 -98.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.434 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 56.1 m -146.81 -47.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -77.66 -32.48 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' CYS . 63.2 p -55.86 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 90' ' ' LYS . 46.3 t -41.67 -62.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 101' ' ' LEU . 6.8 m-70 -40.36 -57.49 1.75 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.745 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -51.95 -48.59 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.34 -22.95 66.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' CYS . 9.6 mmtt -106.97 54.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.44 31.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 44.42 -105.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -164.14 39.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.29 154.91 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -23.14 56.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -58.77 -44.76 90.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.3 1.54 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -100.65 -30.1 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -68.46 -32.91 73.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.487 ' O ' HD11 ' A' ' 101' ' ' LEU . 3.1 tttt -113.13 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 87' ' ' HIS . 1.9 tp 172.7 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 103' ' ' GLY . 58.8 p -126.74 -42.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -38.16 160.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.499 ' SG ' ' CMB' ' A' ' 116' ' ' HEC . 0.0 OUTLIER -105.54 -77.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -72.31 92.53 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.46 33.21 2.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -132.79 161.26 34.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.976 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.86 -25.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 29.3 m -115.03 141.82 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 104' ' ' CYS . 5.0 m-70 56.09 69.07 1.98 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.762 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 98.8 Cg_endo -87.94 142.67 5.67 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.329 3.352 . . . . 0.0 109.577 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.539 HMA3 ' CD1' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.505 ' CMC' ' O ' ' A' ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.606 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.54 ' C2C' ' HB2' ' A' ' 109' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' A' ' 46' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER -51.23 -174.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.647 ' CG1' ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -102.96 174.26 2.94 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' CD ' HG13 ' A' ' 3' ' ' VAL . 71.8 Cg_endo -92.27 137.73 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.312 3.342 . . . . 0.0 109.572 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.81 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 171.83 13.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.32 22.27 32.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.81 74.28 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -50.7 138.74 17.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -113.14 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -158.13 71.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.68 -9.13 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.509 ' CD1' ' O1A' ' A' ' 116' ' ' HEC . 2.2 mt -90.73 109.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.47 -43.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' HA2' ' ND2' ' A' ' 19' ' ' ASN . . . 54.88 -124.28 31.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . 169.92 81.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' ASN . 26.1 tt0 64.83 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLY . 27.0 mtmt -70.27 60.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.444 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 1.9 t-20 -97.25 -170.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -129.78 113.9 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -100.51 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 t -120.55 128.8 76.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.66 130.62 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -116.83 146.56 42.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -139.32 108.67 6.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.647 ' CD2' ' CG1' ' A' ' 3' ' ' VAL . 21.7 m80 -53.68 -31.18 46.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.771 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -52.28 -28.5 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -99.42 19.77 14.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' HIS . 44.3 m80 -156.48 39.7 0.34 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.725 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -101.97 -21.35 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.96 6.31 45.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 48.4 t -112.52 137.23 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -52.42 122.18 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -62.01 -16.97 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -77.97 -12.51 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 1.1 p-10 -77.29 -25.49 51.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 17.4 m -113.1 -39.87 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -104.33 81.92 1.87 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.76 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -89.88 32.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.084 0.865 . . . . 0.0 109.752 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.442 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.0 mp0 -95.58 168.41 10.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLN . 23.3 Cg_exo -62.74 140.46 80.59 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.359 3.373 . . . . 0.0 109.555 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.59 54.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -31.18 57.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 15.5 mmmt -115.75 -80.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 40.05 25.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 22.6 m-85 -143.52 18.79 1.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.863 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.15 145.92 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.61 161.23 1.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.6 m -74.03 -48.71 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 ' HA ' ' C ' ' A' ' 55' ' ' HIS . 77.5 p -61.59 -67.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.2 m 36.66 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -117.41 137.63 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.66 50.73 61.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 50' ' ' THR . 9.3 m -149.26 -131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.453 ' C ' ' HA ' ' A' ' 50' ' ' THR . 35.5 m-70 -95.74 60.72 2.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.755 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 33.5 t-20 -92.87 -41.32 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.82 114.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 25.5 mt -103.45 42.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 156.6 35.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -106.4 -39.03 6.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.68 -14.97 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.56 110.95 23.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -137.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t 68.37 156.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 77.3 t -91.74 35.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -118.98 10.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -96.85 107.07 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -44.61 -30.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.6 t80 -95.51 54.44 1.58 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.823 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.2 tptm -144.4 -58.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -3.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.37 -43.72 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.5 m80 -106.27 13.79 28.33 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.742 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.7 m-20 -77.1 67.77 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.38 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.88 -36.52 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.71 137.1 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.84 -139.89 6.01 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB2' ' CGA' ' A' ' 114' ' ' HEC . . . -57.49 -38.81 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.42 148.55 61.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.58 156.17 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.337 3.358 . . . . 0.0 109.633 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.3 p -104.57 -105.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.418 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 61.2 m -145.32 -46.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.431 HD13 ' CHC' ' A' ' 116' ' ' HEC . 0.1 OUTLIER -83.84 -13.35 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 86' ' ' CYS . 79.7 p -77.2 -75.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.3 t -41.12 -44.43 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.434 ' ND1' HD13 ' A' ' 101' ' ' LEU . 6.0 m-70 -57.67 -54.13 50.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.803 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.35 79.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -13.82 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 57.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.51 -56.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.22 -102.75 2.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 21.5 t0 -142.46 46.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.68 175.5 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . 17.6 mttt -106.99 -64.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -57.4 -30.62 65.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.23 -2.02 57.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -110.97 -21.16 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 20.0 mtpp -80.7 -28.35 36.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.5 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.88 82.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 100' ' ' LYS . 1.1 tp 172.37 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 103' ' ' GLY . 68.2 p -125.09 -38.95 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.64 159.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.08 -76.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -74.6 94.38 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.71 32.93 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -134.09 161.88 33.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.58 -23.45 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 86.1 m -112.35 134.29 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 104' ' ' CYS . 8.5 m-70 57.78 70.63 1.24 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.75 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 86.5 Cg_endo -91.42 137.81 2.09 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.304 3.336 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.49 ' C1B' HG11 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.463 ' CGA' ' HB2' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.603 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.639 ' CHA' ' CGD' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.49 ' O ' ' CMB' ' A' ' 113' ' ' HEC . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 1' ' ' VAL . 63.6 m-20 -40.29 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.576 ' CG1' ' C4A' ' A' ' 113' ' ' HEC . 0.1 OUTLIER -108.83 75.83 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' ALA . 95.9 Cg_endo -74.16 104.94 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.372 3.382 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' PRO . . . 162.06 167.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.1 175.58 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 33.16 85.48 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' CB ' ' O1D' ' A' ' 113' ' ' HEC . . . -74.48 76.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 0.718 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.525 ' CG ' ' CG2' ' A' ' 21' ' ' THR . 2.8 tmtt? -58.18 114.32 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -93.39 106.48 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.98 71.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -86.8 -10.15 54.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.445 HD12 ' CGA' ' A' ' 116' ' ' HEC . 0.7 OUTLIER -79.78 117.49 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.63 61.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.77 5.95 27.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.74 -113.4 0.23 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 17.3 tt0 -89.58 161.46 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' GLU . 20.9 tttm 87.65 -12.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -87.36 -160.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.09 134.74 23.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.525 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 1.1 m -97.47 155.21 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.91 125.2 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.55 131.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.7 t80 -111.51 149.51 31.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.29 122.25 14.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CE1' HG13 ' A' ' 3' ' ' VAL . 26.9 m80 -69.33 -8.12 43.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.2 p -93.51 27.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 2.7 p -152.42 29.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 28' ' ' THR . 56.7 m80 -164.98 33.1 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.743 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -83.34 -26.54 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 5.64 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.2 t -105.65 134.54 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -40.07 114.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.5 t -51.72 -25.19 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -101.7 34.86 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.6 t0 -105.47 -30.78 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.7 m -105.7 -33.81 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -102.7 98.6 8.6 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.78 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -111.24 29.61 7.65 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.168 0.917 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.58 165.35 15.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.9 Cg_endo -76.88 152.34 32.12 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.3 3.334 . . . . 0.0 109.566 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.74 -30.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.2 t70 -72.36 66.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER 89.48 52.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -50.95 -23.24 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 24.78 12.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 44' ' ' LYS . . . -60.54 148.09 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' O ' ' CMC' ' A' ' 114' ' ' HEC . . . -42.22 142.48 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' HA ' ' CHC' ' A' ' 114' ' ' HEC . 8.6 m -73.49 -44.22 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' THR . 72.3 p -64.04 -68.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.9 OUTLIER 32.73 -139.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 6.0 m-20 -119.83 142.64 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.72 37.14 67.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 50' ' ' THR . 30.9 m -134.27 -124.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' C ' ' HA ' ' A' ' 50' ' ' THR . 60.0 m-70 -104.69 58.02 0.7 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.764 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 10.7 p-10 -85.04 -47.76 9.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.97 115.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.7 mt -105.19 42.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -133.41 145.04 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.16 -29.7 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -18.51 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.71 135.43 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -100.36 123.38 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 159.93 163.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 65' ' ' VAL . 76.5 t -91.82 33.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -119.38 9.03 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -97.72 116.93 30.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -53.19 -37.03 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.9 t80 -83.84 13.31 4.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.845 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.1 10.14 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 m -126.69 14.31 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.1 t -130.82 -57.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.3 m80 -80.51 1.98 27.22 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.744 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' GLY . 7.2 t0 -69.77 60.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 73' ' ' HIS . . . -42.61 -28.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -66.29 -51.03 61.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 74.5 164.7 11.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -137.46 -135.95 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' N ' HBA2 ' A' ' 114' ' ' HEC . . . -54.62 -21.66 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.489 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 3.3 ttmt -141.81 139.66 18.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 28.8 Cg_endo -60.83 155.31 49.99 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.355 3.37 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 p -102.6 -101.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 59.5 m -140.57 -47.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.91 -32.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' CYS . 45.8 p -55.56 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.1 t -39.14 -55.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -48.17 -58.33 4.67 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.779 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.44 -29.43 58.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.17 9.18 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -135.6 69.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -176.39 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.22 -113.72 2.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -136.1 49.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 25.8 t0 -98.51 177.56 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -99.51 -60.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 100' ' ' LYS . 6.7 mm-40 -56.57 -27.94 59.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.81 6.67 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -109.3 -24.96 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 31.76 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 39.5 tttt -133.63 -58.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.0 p -152.33 21.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.34 151.27 26.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 76.5 m -95.75 -65.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.643 ' HG2' ' OXT' ' A' ' 112' ' ' SER . 0.0 OUTLIER -105.51 92.1 4.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 119.38 36.56 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' N ' ' A' ' 109' ' ' CYS . 0.1 OUTLIER -133.28 161.83 33.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.86 -29.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.537 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 33.4 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 104' ' ' CYS . 2.2 m-70 56.25 88.56 0.12 Allowed Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.769 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -92.83 144.06 2.34 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.325 3.35 . . . . 0.0 109.601 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.643 ' OXT' ' HG2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HEC . . . . . 0.576 ' C4A' ' CG1' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HEC . . . . . 0.519 ' CGD' ' CMD' ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HEC . . . . . 0.613 ' CGD' ' CMD' ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HEC . . . . . 0.537 ' C2C' ' HB2' ' A' ' 109' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 122.066 0.936 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.722 ' HG2' ' CD2' ' A' ' 26' ' ' HIS . 11.2 Cg_endo -55.46 109.7 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' C ' ' CG ' ' A' ' 6' ' ' ASP . . . -42.44 -84.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -169.56 -177.35 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.87 26.33 22.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.75 102.85 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -79.26 110.87 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.32 107.36 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.63 ' HB2' HG23 ' A' ' 21' ' ' THR . 41.8 t0 -150.91 69.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.0 5.25 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.8 158.04 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -130.87 130.33 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 109' ' ' CYS . 3.8 t -112.72 127.66 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 9' ' ' LYS . 39.5 t -92.59 128.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -112.71 147.41 36.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.07 125.47 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.722 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 33.1 m-70 -73.4 -9.06 58.3 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.746 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 p -92.92 26.21 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.5 p -147.26 25.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 28' ' ' THR . 68.5 m80 -163.75 32.03 0.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -79.79 -27.36 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.21 6.94 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -106.32 140.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -43.59 112.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -51.08 -23.55 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -105.63 36.27 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.4 t0 -103.21 -30.39 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -106.03 -35.96 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -95.79 80.7 3.39 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.746 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -89.3 33.97 0.81 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.216 0.947 . . . . 0.0 109.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 44' ' ' LYS . 1.2 mp0 -97.92 170.37 7.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.436 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 56.8 Cg_endo -81.24 -57.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.32 3.347 . . . . 0.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.49 -60.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.27 -21.03 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 40' ' ' GLN . 9.2 mtmp? -108.97 -15.32 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -47.11 -37.5 9.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -103.88 20.63 17.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.819 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 136.13 46.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -44.23 164.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.06 -48.8 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' THR . 71.6 p -55.78 -69.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER 34.77 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -116.19 141.68 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.67 46.62 74.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 25.1 m -144.29 -124.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.419 ' C ' ' HA ' ' A' ' 50' ' ' THR . 54.8 m-70 -104.16 59.0 0.72 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.731 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 16.4 p-10 -89.3 -44.59 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.6 114.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -104.98 42.03 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.92 151.3 39.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -102.4 -36.71 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.79 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.46 135.16 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 64' ' ' SER . 2.4 ttmt -88.23 -155.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 1.2 p 81.75 157.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.5 p -91.69 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 27.1 m-80 -116.52 9.36 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.38 22.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -46.12 -36.22 5.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 108.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.61 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 78.2 t80 -92.2 53.4 2.13 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.808 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' SER . 13.7 tttt -144.49 -58.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.35 -2.11 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 t -95.37 -41.44 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.578 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 90.0 m-70 -106.15 16.41 24.98 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.756 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.772 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.4 t0 -71.34 60.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.01 -29.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -66.34 -45.74 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 87.01 150.4 17.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.58 -146.0 6.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.5 -27.65 39.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -135.87 146.3 56.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -56.69 155.27 27.43 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' HB3' ' A' ' 74' ' ' ASP . 6.5 p -108.01 -107.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.6 m -135.99 -48.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -79.0 -31.82 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 82' ' ' THR . 31.9 p -55.87 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.8 t -37.79 -56.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CE1' HD12 ' A' ' 101' ' ' LEU . 6.3 m-70 -47.95 -57.8 5.25 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.756 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -30.79 60.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 7.08 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 mmtt -136.54 70.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' LYS . . . 179.67 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 104.86 -150.74 17.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.51 24.1 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.767 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -97.73 85.85 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.1 mtpp -39.16 -30.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 94' ' ' ASP . 8.0 tp10 -53.86 -54.62 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -91.7 1.12 57.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -32.59 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 95' ' ' LYS . 6.4 mtpt -65.27 -49.24 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -93.1 85.74 5.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 156.15 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' GLY . 25.5 p -140.41 -45.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.09 158.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 110' ' ' HIS . 13.4 m -95.57 -73.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -81.32 99.65 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 34.71 2.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.4 t -127.01 162.38 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.04 49.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.656 ' O ' HG22 ' A' ' 22' ' ' VAL . 89.4 m -153.02 -49.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 104' ' ' CYS . 45.1 m-70 -129.65 79.78 72.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.746 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.17 138.02 8.68 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.435 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 122.067 0.937 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.693 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 87.4 Cg_exo -43.08 135.36 5.57 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.45 -160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.05 163.42 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.03 24.3 32.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.92 159.35 16.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.19 133.33 47.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -98.33 116.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -154.61 89.09 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -103.89 -49.23 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 58' ' ' LEU . 4.1 mt -59.03 153.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -100.21 140.87 33.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.07 127.14 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -92.14 127.3 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 t80 -114.35 149.55 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.83 121.56 16.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 16.2 m80 -70.62 -8.36 51.15 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.748 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 p -87.94 -10.36 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.0 p -109.03 24.23 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 28' ' ' THR . 66.2 m80 -162.32 35.06 0.11 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.763 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -27.43 24.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -82.63 6.05 19.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG23 ' OD1' ' A' ' 31' ' ' ASP . 45.7 t -106.47 136.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -39.87 132.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.16 -5.7 37.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.24 12.99 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -83.51 -29.97 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.6 m -108.33 -40.51 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -93.34 94.37 8.7 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.773 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -104.6 30.46 5.39 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.146 0.904 . . . . 0.0 109.752 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.2 mp0 -92.32 139.54 24.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.44 156.05 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.379 3.386 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.2 -162.41 53.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -87.42 12.25 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.6 mmmt -94.94 15.11 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 12.8 tt0 -52.75 -21.49 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.2 21.2 16.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.827 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -80.16 144.07 33.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.57 153.51 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.41 -39.01 15.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 55' ' ' HIS . 59.2 p -84.58 43.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.3 m -92.99 156.73 16.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.8 t70 -38.6 131.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.39 49.25 80.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -149.75 -133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 50' ' ' THR . 33.3 m-70 -100.77 63.05 1.03 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.738 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 15.9 t-20 -94.05 -39.63 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.16 115.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 13' ' ' ILE . 21.8 mt -106.01 42.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.9 t0 -148.18 129.34 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -77.19 -15.76 59.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.502 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -57.58 -18.04 17.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.5 116.34 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -64.59 -138.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t 68.05 163.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.7 t -92.06 35.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.35 7.27 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.95 109.64 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -47.29 -37.31 10.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.65 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 75.0 t80 -90.68 55.42 2.97 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.859 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 5.8 tptm -143.68 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.45 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.27 -3.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -95.12 -38.2 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.6 m80 -111.39 16.56 20.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.759 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.75 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.3 m-20 -80.72 72.23 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -59.06 -25.06 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -60.51 -46.71 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.79 136.05 3.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.68 -143.82 8.04 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.54 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.488 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -145.55 147.02 31.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 15.4 Cg_endo -55.1 156.47 16.05 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.75 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.0 p -108.74 -104.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.5 m -142.4 -46.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.588 HG21 ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -81.38 -24.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -65.05 -77.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.8 t -40.46 -51.37 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 108.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.73 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.9 m-70 -52.65 -56.9 12.16 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.72 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -27.94 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.81 6.99 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -136.61 69.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.22 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.38 -156.62 24.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.13 -18.6 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 96' ' ' GLU . 5.8 m-20 -61.09 82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.3 pttp -47.94 -23.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 94' ' ' ASP . 68.6 mt-10 -56.85 -34.9 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.49 7.57 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -32.3 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -59.58 -35.4 74.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.54 86.85 2.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.74 -25.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 103' ' ' GLY . 34.0 p -136.98 -45.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.07 162.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -105.68 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -75.58 93.19 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.63 30.66 2.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.42 157.62 42.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -27.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 107' ' ' SER . 68.9 m -111.06 139.75 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.424 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 11.0 m-70 55.89 66.83 3.3 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.76 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 67.8 Cg_endo -87.65 139.35 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.372 3.382 . . . . 0.0 109.632 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.124 0.964 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.884 ' HG2' ' CD2' ' A' ' 26' ' ' HIS . 19.1 Cg_endo -58.86 127.71 25.36 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.328 3.352 . . . . 0.0 109.593 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' PRO . . . -57.19 -162.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.01 169.86 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.25 23.27 35.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.68 113.53 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.642 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -85.93 124.06 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.45 114.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 57.5 t0 -155.52 71.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -81.42 -12.2 59.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' HA ' HD13 ' A' ' 58' ' ' LEU . 2.2 mt -86.94 144.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.642 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.24 134.06 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.94 128.57 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 t -88.6 130.51 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -119.57 148.81 42.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.21 126.62 18.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.884 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.2 m-70 -73.76 -12.65 60.77 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.771 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.9 p -91.11 29.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 6.2 p -151.2 28.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 57.3 m80 -164.42 32.75 0.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.782 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -85.64 -29.82 23.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.84 5.72 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.7 t -88.01 -69.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER 161.4 142.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.81 38.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 2.1 p-10 -171.77 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.513 ' OD2' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -114.91 -30.04 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 m -109.31 -20.67 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.01 81.84 1.6 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.776 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -96.65 34.26 1.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.119 0.887 . . . . 0.0 109.79 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.44 167.22 11.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' GLN . 33.8 Cg_exo -57.99 165.19 7.12 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 0.0 109.568 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -2.52 67.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.55 -6.42 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -137.1 15.51 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' PRO . 4.5 tt0 -51.38 -23.0 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -113.16 26.31 10.58 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.804 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.21 154.79 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -36.31 153.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.52 -38.44 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 55' ' ' HIS . 22.2 p -107.32 38.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.98 169.11 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.431 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 145.19 15.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.95 34.66 72.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 m -139.11 -135.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.823 ' O ' HG22 ' A' ' 50' ' ' THR . 14.9 m80 -102.34 75.47 1.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.795 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.1 t-20 -101.99 -47.67 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -38.31 116.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 13' ' ' ILE . 40.4 mt -105.86 42.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 33.2 t0 -133.68 156.8 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -103.6 -26.51 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.75 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -109.53 127.75 54.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.5 tttt -87.84 -150.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 84.83 166.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' VAL . 40.3 t -92.07 34.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -124.72 14.84 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -106.07 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -43.81 -30.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.025 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.618 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 77.3 t80 -96.08 50.52 1.18 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.793 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -140.35 -58.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.26 -2.32 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.23 -40.28 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.535 ' CD2' ' CE1' ' A' ' 69' ' ' TYR . 80.1 m-70 -109.6 15.17 23.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.786 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.762 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.9 m-20 -77.51 67.54 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -52.78 -27.43 17.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -58.34 -54.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.11 130.94 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.23 -140.97 8.78 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -28.8 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -136.51 146.31 55.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 14.6 Cg_endo -55.14 155.58 18.87 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.325 3.35 . . . . 0.0 109.614 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.762 HG21 ' HB2' ' A' ' 74' ' ' ASP . 7.4 p -105.94 -108.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.4 m -136.8 -46.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -80.03 -30.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.474 ' HG ' ' H ' ' A' ' 82' ' ' THR . 43.4 p -58.09 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.7 t -37.66 -54.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.726 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -50.41 -59.74 3.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -28.26 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.49 10.25 28.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -136.72 70.2 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.716 ' HB3' ' CE ' ' A' ' 98' ' ' LYS . . . -172.16 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.22 21.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 22.6 p-10 -74.12 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -62.75 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -47.54 -23.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 94' ' ' ASP . 28.0 tp10 -55.76 -33.54 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.1 4.14 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.716 ' CE ' ' HB3' ' A' ' 91' ' ' ALA . 16.1 mmtp -97.36 -38.79 9.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.15 -34.48 68.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.16 86.17 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.78 -25.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' GLY . 37.7 p -135.54 -46.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.05 162.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.28 -76.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -74.52 93.86 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.44 31.18 2.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.62 158.81 41.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.737 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.98 -26.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' SER . 68.1 m -112.15 140.88 46.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.422 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 14.8 m-70 55.63 65.78 4.25 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.748 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 69.3 Cg_endo -86.42 140.6 6.42 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.266 3.311 . . . . 0.0 109.644 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.999 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.091 0.948 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.999 ' HD2' HG22 ' A' ' 3' ' ' VAL . 58.6 Cg_endo -86.45 137.15 4.9 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.295 3.33 . . . . 0.0 109.636 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.07 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.29 178.31 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.63 23.42 30.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -82.02 162.75 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -140.97 120.7 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.7 mt -98.57 120.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.578 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t0 -157.59 89.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.51 1.01 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -108.88 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -136.12 128.93 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.47 128.62 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 34.2 t -89.48 129.92 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -112.76 144.27 42.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -133.49 121.56 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.672 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-70 -72.29 -32.55 66.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.789 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -51.31 -33.33 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 p -97.57 18.32 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -149.72 34.12 0.69 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.777 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -32.34 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.41 4.77 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.8 128.66 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.88 120.65 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.26 -20.69 60.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -75.36 -14.24 60.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -76.52 -24.26 53.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 26.1 m -112.68 -40.73 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.21 87.44 3.44 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.752 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 9.3 p80 -99.96 36.43 1.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.119 0.887 . . . . 0.0 109.794 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 6.6 mm100 -102.94 105.12 43.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 59.6 Cg_endo -77.21 -27.42 6.67 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.275 3.317 . . . . 0.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -52.19 -172.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.522 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 30.0 t70 -90.36 38.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 12.7 mtmt -161.6 61.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 2.1 tt0 -51.48 -22.18 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.39 19.37 16.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -66.76 142.54 57.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -47.83 146.44 4.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.7 m -73.56 -44.11 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' THR . 54.5 p -64.88 -69.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER 34.24 -141.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.27 140.26 49.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' THR . 15.1 m -146.18 -128.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.457 ' C ' ' HA ' ' A' ' 50' ' ' THR . 22.0 m80 -100.99 56.06 0.85 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.795 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.9 p-10 -85.86 -46.55 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.38 115.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.0 mt -105.5 42.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.44 165.5 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -34.97 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.88 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.02 115.09 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -138.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.6 t 69.41 159.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 65' ' ' VAL . 70.3 t -92.11 35.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 1.7 m-80 -118.44 10.35 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.24 110.25 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -46.64 -31.1 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.611 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 72.8 t80 -94.46 47.48 1.18 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.82 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -139.1 -59.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -70.62 -6.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -91.58 -41.47 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.6 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 91.7 m-70 -108.06 15.67 24.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.737 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.0 m-20 -77.8 66.58 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.29 -28.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.7 tptt -115.72 85.59 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -122.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.04 -99.4 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.15 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -132.71 144.96 55.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 57.8 Cg_endo -66.61 163.19 33.79 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.278 3.319 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.737 HG21 ' CB ' ' A' ' 74' ' ' ASP . 9.4 p -107.63 -110.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.9 m -137.87 -45.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.82 -27.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' CYS . 66.2 p -61.99 -81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.2 t -36.4 -48.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.649 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.5 m-70 -55.82 -58.42 7.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.71 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -48.59 76.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -16.09 64.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' CYS . 63.8 mmtt -109.71 32.5 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB3' ' HD3' ' A' ' 98' ' ' LYS . . . -135.14 24.4 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.68 -134.47 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -112.16 -15.35 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.75 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.2 m-20 -64.81 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -44.46 -25.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 94' ' ' ASP . 58.5 tt0 -56.06 -35.29 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -8.73 58.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.516 ' HD3' ' HB3' ' A' ' 91' ' ' ALA . 2.4 mmmm -84.92 -32.86 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -53.38 -38.62 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -115.83 88.9 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.87 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' GLY . 47.4 p -136.5 -44.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.57 162.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -105.52 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 93.32 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.66 30.63 2.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.77 160.65 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.018 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.13 -19.76 5.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 94.1 m -113.16 118.93 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 108.269 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.0 m-70 69.71 69.71 0.39 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.73 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.446 ' O ' ' OXT' ' A' ' 112' ' ' SER . 71.7 Cg_endo -87.17 140.27 5.54 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.294 3.33 . . . . 0.0 109.56 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 9.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.723 HG12 ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.098 0.952 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.723 ' CD ' HG12 ' A' ' 3' ' ' VAL . 59.1 Cg_endo -85.26 137.17 5.96 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 0.0 109.584 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -177.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.18 172.44 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.45 22.2 35.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.21 82.53 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -56.25 124.48 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.45 117.44 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -155.98 82.64 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -96.86 -13.99 22.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -105.83 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.41 135.04 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.68 130.59 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.84 132.86 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -123.5 145.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -135.38 124.12 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' HG11 ' A' ' 3' ' ' VAL . 10.0 m80 -70.37 -12.49 61.62 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.758 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 p -84.98 -15.01 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 29.5 p -103.27 22.1 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' THR . 67.7 m80 -161.18 35.39 0.14 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.77 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.24 -29.44 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.98 6.38 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.0 t -102.7 138.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ASP . 1.2 mptt -39.77 111.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -52.97 -21.97 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -105.81 31.14 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.7 t0 -100.38 -29.53 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.2 m -106.3 -36.42 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -98.3 84.49 3.24 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.767 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -88.61 33.02 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.102 0.876 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.6 mp0 -91.72 170.6 9.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 40' ' ' GLN . 61.1 Cg_endo -85.53 -57.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.299 3.333 . . . . 0.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.7 -63.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.96 -19.7 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 36.7 mttp -107.94 -15.19 14.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 29.8 tt0 -46.05 -36.25 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -108.04 23.49 14.4 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -94.28 154.46 17.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.51 152.49 0.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.14 -46.76 22.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' THR . 11.0 p -77.5 -51.38 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 31.94 -146.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.56 150.25 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.16 17.14 10.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ASN . 56.7 m -114.75 -99.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 50' ' ' THR . 77.6 m-70 -132.14 63.36 1.62 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -92.51 -50.86 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -37.83 116.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 42.0 mt -105.6 42.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.96 170.67 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -119.1 -40.82 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.21 3.18 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.5 -39.89 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.78 -152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 22.8 t 67.67 159.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.0 t -91.87 35.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -125.58 15.67 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 1.9 m -102.05 112.21 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 108.02 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.652 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 86.7 t80 -85.88 55.83 3.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.777 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 64' ' ' SER . 16.6 tttt -146.01 -57.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.6 -1.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.86 -38.09 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.592 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 82.6 m-70 -108.22 17.29 22.4 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.787 ' HB3' HG21 ' A' ' 82' ' ' THR . 2.8 t0 -75.57 57.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.11 -31.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -59.19 -42.7 91.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 85.23 135.77 3.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.67 -141.72 7.41 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.38 83.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.347 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 147.77 52.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.11 150.75 30.56 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 0.0 109.592 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 74' ' ' ASP . 3.2 p -102.96 -104.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.6 m -142.23 -47.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.4 -30.79 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 86' ' ' CYS . 62.9 p -59.79 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 85' ' ' SER . 44.5 t -36.15 -50.07 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.0 m-70 -55.55 -63.18 1.25 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -55.55 -25.36 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -93.84 13.48 22.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' HIS . 5.8 mmtt -142.72 73.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -178.91 -71.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.02 -157.34 15.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 2.8 p30 -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 96' ' ' GLU . 9.0 m-20 -59.98 84.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -44.1 -26.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 94' ' ' ASP . 45.6 mm-40 -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.703 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -99.26 8.52 44.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -96.95 -50.9 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -48.21 -43.47 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -100.36 81.47 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 154.72 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.429 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 6.9 p -148.74 18.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -88.73 95.93 2.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' GLY . 64.7 m -40.46 -55.57 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -108.33 85.82 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.78 38.57 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 36.4 p -122.92 166.17 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.1 0.22 16.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 73.0 m -106.45 -60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -115.23 89.5 21.13 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.759 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 63.2 Cg_endo -91.51 140.01 2.45 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 4' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 122.081 0.944 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 3' ' ' VAL . 52.9 Cg_exo -45.77 132.26 13.5 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.328 . . . . 0.0 109.578 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.64 170.24 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.69 165.79 23.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 24.46 37.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.83 120.17 27.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -94.61 124.7 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mt -97.99 117.94 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.9 t0 -157.2 77.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.04 -14.06 45.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.72 111.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -125.2 134.5 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.3 127.43 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 t -89.83 132.05 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.2 t80 -117.82 148.57 41.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.26 119.61 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -69.61 -7.99 43.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.78 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' THR . 73.3 p -97.58 33.26 2.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.6 p -155.93 31.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 28' ' ' THR . 48.9 m80 -165.3 32.76 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.771 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -83.2 -34.98 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 4.14 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.1 t -83.92 -71.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER 161.1 116.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.97 -14.52 48.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -120.41 35.26 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -111.58 -27.59 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.1 m -106.74 -31.86 8.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -102.05 101.76 12.16 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.8 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -112.63 27.37 9.69 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.167 0.917 . . . . 0.0 109.754 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.1 mp0 -89.08 140.57 29.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -86.48 156.1 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.339 3.359 . . . . 0.0 109.614 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.33 -165.48 48.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 14.23 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.4 mmmt -104.44 22.67 14.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 1.7 tt0 -53.04 -21.51 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.62 19.1 17.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.827 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -72.51 146.16 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.95 151.72 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 m -86.95 -38.79 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 55' ' ' HIS . 64.6 p -85.07 42.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.2 m -92.64 156.19 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' THR . 1.0 OUTLIER -38.02 130.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.19 49.82 74.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 51' ' ' THR . 14.3 m -149.88 -134.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 50' ' ' THR . 18.0 m80 -100.57 62.58 1.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.777 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 12.4 t-20 -95.37 -42.81 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.21 115.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 27.8 mt -106.07 42.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.31 151.56 41.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -42.55 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.16 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.68 151.0 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 13.7 mmtt -110.22 -148.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m 67.4 165.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.0 t -92.2 35.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.78 10.81 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.46 109.7 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -47.24 -33.82 5.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 71.0 t80 -92.4 49.85 1.55 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.1 tptm -139.53 -59.17 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.96 -3.97 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.89 -41.78 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 69' ' ' TYR . 88.3 m-70 -108.92 16.02 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.769 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.73 ' CB ' HG21 ' A' ' 82' ' ' THR . 2.3 m-20 -78.1 77.06 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.8 -30.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.1 tptp -124.79 106.6 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.68 -126.1 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 -96.83 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.04 69.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -148.29 146.88 24.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.489 ' CG ' ' OD2' ' A' ' 36' ' ' ASP . 52.8 Cg_endo -61.79 165.92 13.03 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.73 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -107.45 -107.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.9 m -142.96 -47.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 mt -80.96 -19.07 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.491 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -70.63 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' LYS . 53.5 t -40.28 -47.24 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.51 -60.59 3.32 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -50.71 -43.47 57.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.33 -24.96 62.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 mtmt -107.74 55.61 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.848 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . 168.81 -43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 98' ' ' LYS . . . -36.15 94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -169.1 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -142.17 145.14 33.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -30.63 54.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.41 -44.81 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -89.77 -4.73 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CE ' ' HA2' ' A' ' 92' ' ' GLY . 5.1 tptp -92.89 -29.57 15.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' GLY . 9.5 mtpp -63.17 -50.74 69.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 3.2 tttt -92.87 87.03 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.848 HD23 ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER 157.61 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 103' ' ' GLY . 15.4 p -145.58 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -31.71 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.499 ' C ' ' O ' ' A' ' 103' ' ' GLY . 13.4 m -34.07 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 92.69 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 117.89 32.91 1.34 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 15.6 p -128.76 148.01 50.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 0.801 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.74 -29.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.4 m -108.41 136.13 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.7 m-70 60.18 63.58 2.97 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.771 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 85.2 Cg_endo -81.0 141.15 12.98 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.294 3.33 . . . . 0.0 109.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.078 0.942 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.55 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 8.4 Cg_exo -35.36 114.54 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.282 3.321 . . . . 0.0 109.622 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -169.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.68 168.8 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.76 21.21 37.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 85.76 7.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.69 121.99 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.6 mt -98.92 122.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.51 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.0 t0 -159.06 83.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -96.88 -20.68 17.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 58' ' ' LEU . 21.1 mt -98.51 155.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.27 133.75 23.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 t -116.22 129.1 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.22 133.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -124.32 140.82 52.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -127.51 126.15 41.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 6.3 m80 -73.28 -35.02 66.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.791 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -61.47 -26.29 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 25' ' ' ASN . 70.3 p -89.72 12.42 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.89 35.68 0.61 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.779 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -29.99 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.41 2.46 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 25.2 t -102.14 142.61 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' VAL . 13.5 mmtm -40.18 137.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -85.73 16.97 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.59 25.91 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -101.77 -28.82 12.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -107.23 -33.4 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -101.65 80.22 2.02 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.728 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -93.42 34.79 1.13 Allowed 'General case' 0 CA--C 1.539 0.545 0 O-C-N 124.161 0.913 . . . . 0.0 109.79 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -114.12 144.84 32.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLN . 61.1 Cg_endo -78.88 149.89 23.31 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . -37.21 -30.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -53.82 -49.79 67.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 47' ' ' ALA . 1.4 mtpt -137.34 35.96 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -52.79 -61.21 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -85.06 9.24 15.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.831 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 44' ' ' LYS . . . -58.67 149.72 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -37.55 152.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.2 t -86.22 -40.93 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 55' ' ' HIS . 12.8 p -99.79 30.52 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.85 177.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.06 147.7 52.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.94 14.55 24.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.547 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 21.6 m -115.65 -132.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 50' ' ' THR . 21.2 m80 -104.78 67.7 0.82 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.748 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 18.1 p-10 -96.24 -43.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.65 117.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 26.0 mt -106.06 43.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.78 164.15 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -108.74 -51.28 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.02 -14.58 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.97 82.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 6.4 mmmt 76.94 -148.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 160.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.9 p -91.94 34.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 54' ' ' CYS . 3.5 m120 -127.77 17.23 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -98.89 110.84 23.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -48.39 -43.67 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.656 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 87.7 t80 -85.08 53.55 2.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.845 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.1 tptm -142.51 -59.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.1 m -69.42 -8.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 t -88.66 -38.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -111.95 17.83 19.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.771 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.729 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.5 m-20 -78.67 61.41 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -51.43 -29.13 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -56.29 -32.08 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.55 140.83 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.8 -137.49 4.82 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.39 88.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -125.39 147.77 58.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 10.5 Cg_endo -52.33 150.88 18.98 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.339 3.359 . . . . 0.0 109.57 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.729 HG21 ' HB2' ' A' ' 74' ' ' ASP . 4.8 p -99.21 -107.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.395 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -144.59 -47.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -80.22 -14.95 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.442 ' HG ' ' H ' ' A' ' 82' ' ' THR . 88.1 p -76.43 -77.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 52.7 t -39.65 -39.81 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.502 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 5.4 m-70 -63.77 -53.07 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.779 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -61.85 -16.98 54.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 16.22 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -142.49 73.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -179.45 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.1 -153.87 21.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 1.3 p30 -75.05 -20.43 59.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 96' ' ' GLU . 4.8 m-20 -63.07 80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 2.6 pttm -44.78 -25.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 94' ' ' ASP . 1.2 tt0 -54.76 -33.28 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -98.6 7.59 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -102.2 -33.93 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -58.54 -36.78 74.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -107.5 81.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp 171.28 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' GLY . 82.5 p -116.06 -26.56 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -43.71 170.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.8 OUTLIER -116.58 -75.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -80.51 90.65 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.33 31.49 1.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 56.2 p -128.43 163.86 23.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -25.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.9 m -117.39 145.0 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.437 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 6.9 m-70 56.31 63.33 5.86 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.765 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 88.5 Cg_endo -83.54 137.8 8.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.299 3.332 . . . . 0.0 109.602 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 30' ' ' LYS . 2.8 m . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.066 0.936 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.654 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 72.8 Cg_endo -75.6 135.92 18.59 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.267 3.311 . . . . 0.0 109.563 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.98 171.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 172.23 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.36 33.16 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 112.45 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.08 115.23 26.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -97.43 111.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.607 ' HB2' HG23 ' A' ' 21' ' ' THR . 26.6 t0 -150.41 87.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -98.93 -5.79 30.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -105.59 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' ND1' ' A' ' 110' ' ' HIS . 1.3 pt? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 11' ' ' ASP . 6.9 m -127.71 139.54 52.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 t -109.53 128.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.03 131.26 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.5 t80 -112.7 150.97 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -139.35 122.05 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.654 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 25.1 m80 -79.04 -1.28 34.91 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.767 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 p -78.79 -30.12 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -102.48 23.67 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -147.87 32.16 0.85 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.735 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.639 ' HE2' HG21 ' A' ' 3' ' ' VAL . 9.3 mttt -89.11 -36.96 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.69 2.78 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 50.5 t -106.8 124.13 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -48.25 127.46 12.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -69.82 -8.65 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.6 OUTLIER -76.39 -29.09 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 70.3 m -113.53 -39.05 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -96.24 84.47 3.77 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -100.52 34.77 2.31 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.208 0.942 . . . . 0.0 109.789 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.618 ' OE1' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -100.48 107.61 49.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.63 156.48 21.41 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.324 3.35 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.53 -131.2 10.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -127.69 22.64 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -135.77 47.89 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -20.61 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -106.21 13.75 28.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.618 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . . . -49.2 151.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -36.68 140.71 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -80.39 -41.13 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.852 HG22 ' O ' ' A' ' 55' ' ' HIS . 18.2 p -102.0 40.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -73.45 172.98 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.93 142.93 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.28 25.67 60.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.6 m -126.35 -133.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.852 ' O ' HG22 ' A' ' 50' ' ' THR . 17.6 m80 -103.32 68.6 0.97 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.749 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.0 p-10 -97.14 -47.04 5.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -39.94 115.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.4 mt -105.05 43.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -131.39 177.13 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -136.85 34.57 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.32 13.49 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -18.64 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER 63.85 -145.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.2 m 61.47 161.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 47.7 t -91.86 38.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -125.32 18.98 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -106.85 106.74 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -43.35 -30.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 107.974 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.629 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.2 t80 -94.6 46.0 1.13 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.847 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -138.08 -59.81 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -68.82 -7.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.33 -43.26 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.414 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 73.6 m-70 -108.11 18.03 21.63 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.738 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -79.54 70.66 6.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.79 -33.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 100.88 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.22 -129.71 1.51 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.76 -97.26 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -35.79 63.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -151.46 146.68 19.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 33.4 Cg_endo -60.12 161.64 18.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.301 3.334 . . . . 0.0 109.582 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.738 HG21 ' CB ' ' A' ' 74' ' ' ASP . 5.0 p -104.49 -111.3 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 60.8 m -139.23 -45.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.42 -26.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.0 p -63.27 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.501 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 52.9 t -36.95 -46.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 90' ' ' LYS . 5.3 m-70 -58.75 -63.59 1.24 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.753 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -18.33 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.58 26.46 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.501 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -146.27 45.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 97' ' ' LEU . . . -160.65 36.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 27.4 -100.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.9 p-10 -153.61 43.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 22.5 t70 -93.31 176.57 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -99.05 -64.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.0 -30.13 46.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.011 ' O ' HD21 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -94.28 8.33 42.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.42 -25.29 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -88.54 -52.52 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.481 ' C ' HD13 ' A' ' 101' ' ' LEU . 20.5 tttp -42.5 -26.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.42 131.47 45.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.767 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.4 p 72.99 3.22 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 107' ' ' SER . . . -83.98 92.45 1.7 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 103' ' ' GLY . 76.0 m -36.83 -59.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -114.12 97.98 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.0 40.08 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.2 p -144.75 152.88 41.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.68 -29.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 107' ' ' SER . 44.2 m -102.6 134.33 46.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.445 ' ND1' HD12 ' A' ' 20' ' ' LEU . 2.1 m-70 52.35 85.67 0.18 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.777 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -89.81 144.18 4.38 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.283 3.322 . . . . 0.0 109.615 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.649 HG11 ' ND1' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 122.062 0.934 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 29.8 Cg_endo -86.04 -178.56 2.89 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.332 3.355 . . . . 0.0 109.594 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.97 162.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -169.65 172.96 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.21 38.28 92.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.65 81.16 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.15 121.24 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.63 113.86 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.541 ' HB2' HG23 ' A' ' 21' ' ' THR . 47.1 t0 -156.51 70.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -82.04 8.21 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -116.67 138.45 47.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.1 m -123.06 127.95 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 t -111.38 129.06 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -89.58 127.91 41.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 8.5 t80 -110.58 152.24 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.24 118.55 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.649 ' ND1' HG11 ' A' ' 3' ' ' VAL . 28.6 m-70 -71.15 -4.21 24.19 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.759 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 20.0 p -97.76 24.27 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.0 p -147.48 27.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 28' ' ' THR . 55.4 m80 -163.17 31.99 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 27' ' ' SER . 4.3 mttm -80.94 -27.99 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 4.56 22.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.75 144.24 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 125.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' HIS . 77.9 m -66.94 -9.07 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -83.69 -14.5 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -84.44 -21.57 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -112.69 -38.22 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' CYS . 76.7 m-70 -116.74 84.45 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.784 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -95.13 33.58 1.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.144 0.902 . . . . 0.0 109.799 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.1 165.91 14.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.08 149.31 25.35 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.27 3.314 . . . . 0.0 109.593 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -56.67 102.07 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.2 m-20 157.88 -43.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -130.89 25.59 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 21.1 tt0 -52.45 -22.35 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -106.07 19.9 19.8 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.808 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.23 135.93 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.07 152.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -76.35 -46.87 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' THR . 76.1 p -59.38 -67.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.7 OUTLIER 35.09 -139.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.91 44.32 87.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' THR . 19.9 m -141.71 -127.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' C ' ' HA ' ' A' ' 50' ' ' THR . 50.6 m-70 -100.87 59.97 0.94 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.751 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.7 t-20 -88.99 -46.37 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.02 114.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.9 mt -103.72 42.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 51.9 t0 -133.21 144.61 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.54 -6.09 53.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.2 87.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 119.91 20.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 13.62 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -73.44 167.51 21.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.5 t -91.55 35.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -128.71 18.04 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 111.18 23.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -46.16 -42.84 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' CE1' ' CD2' ' A' ' 73' ' ' HIS . 80.0 t80 -86.2 52.73 2.57 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.869 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -141.21 -59.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -72.23 -3.94 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.57 -40.26 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.615 ' CD2' ' CE1' ' A' ' 69' ' ' TYR . 78.5 m-70 -109.79 16.55 21.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.789 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.746 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -80.31 69.24 6.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -53.32 -45.95 69.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -43.94 -44.95 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.54 140.6 6.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.71 -140.92 7.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.32 67.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 149.69 73.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 36' ' ' ASP . 9.6 Cg_endo -49.29 153.15 4.86 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.327 3.351 . . . . 0.0 109.599 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.746 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.5 p -104.48 -102.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.6 m -145.07 -46.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -81.76 -22.34 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' A' ' 82' ' ' THR . 78.9 p -68.4 -77.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.499 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 47.0 t -39.41 -45.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.699 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.6 m-70 -58.04 -62.73 1.61 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.776 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -19.24 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.61 19.51 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -149.45 79.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.29 -54.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.44 -110.27 3.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 25.3 t70 -140.04 45.79 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 15.5 t70 -98.83 175.9 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' LYS . 28.4 mmtm -108.89 -66.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 99' ' ' LYS . 50.7 mm-40 -52.11 -32.4 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.76 -21.2 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -84.15 -30.05 26.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -84.9 -23.07 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -109.36 87.46 2.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.75 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 103' ' ' GLY . 36.8 p -137.93 -45.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.29 161.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -104.64 -75.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -76.0 94.32 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.12 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.91 160.96 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.32 -24.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 107' ' ' SER . 64.4 m -113.68 139.41 49.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 9.6 m-70 55.84 68.99 2.06 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 89.2 Cg_endo -89.63 140.93 3.75 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.341 3.36 . . . . 0.0 109.575 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 p . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 122.032 0.92 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 43.5 Cg_endo -92.36 -166.75 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.9 167.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.17 169.53 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 42.83 96.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -69.77 87.97 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 9.5 tptt -69.32 109.55 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.2 mt -97.78 114.79 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.9 t0 -158.48 70.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -89.98 -25.41 20.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -93.47 99.06 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 20' ' ' LEU . 2.7 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -138.97 152.02 47.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.59 128.48 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 37.5 t -94.03 134.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.829 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 6.0 t80 -114.61 150.24 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -142.05 118.37 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.462 ' ND1' ' CG2' ' A' ' 3' ' ' VAL . 46.6 m-70 -68.5 -7.14 29.49 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.767 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' THR . 75.4 p -95.28 31.4 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' SER . 3.2 p -157.57 32.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 28' ' ' THR . 51.6 m80 -165.34 34.53 0.06 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.787 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -85.35 -35.2 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.87 3.02 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.2 t -85.11 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' N ' HG12 ' A' ' 32' ' ' VAL . 6.2 mttt 161.07 137.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.46 -47.97 58.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -91.6 38.05 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -108.44 -28.9 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -108.62 -34.88 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -100.81 90.41 4.21 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.755 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -94.59 30.46 2.01 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.172 0.92 . . . . 0.0 109.796 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.6 mp0 -109.37 161.93 22.08 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.8 Cg_endo -76.66 140.63 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.352 . . . . 0.0 109.63 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.86 -30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -46.97 -28.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.2 mtmt -170.47 36.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 33.5 tt0 -53.93 -21.05 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.47 23.29 14.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -83.92 145.92 28.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.18 153.01 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.1 m -76.61 -45.59 29.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' THR . 67.4 p -61.24 -66.74 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 33.77 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -118.63 140.87 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.78 42.03 84.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' THR . 24.0 m -139.26 -126.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.431 ' C ' ' HA ' ' A' ' 50' ' ' THR . 28.8 m80 -101.59 59.0 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.747 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.2 t-20 -87.4 -47.27 8.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.22 116.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -105.92 42.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -133.68 145.38 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -87.92 -15.11 37.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.22 -72.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.47 114.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -90.76 80.27 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -149.97 170.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.7 p -91.05 34.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.03 10.38 10.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 m -101.63 116.11 32.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -50.94 -43.28 60.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.635 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 84.8 t80 -84.15 51.67 2.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.841 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.3 tptm -140.53 -58.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -71.39 -4.25 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.82 -40.76 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CD2' ' CE1' ' A' ' 69' ' ' TYR . 67.7 m-70 -109.89 16.21 22.12 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.742 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.735 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.3 m-20 -77.99 73.47 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.86 -30.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -120.62 100.84 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.08 -125.46 0.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.35 -95.22 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.66 91.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.482 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -140.76 145.86 41.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 37.4 Cg_endo -61.81 163.78 18.02 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.298 3.332 . . . . 0.0 109.566 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -106.66 -112.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.2 m -138.53 -45.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -81.16 -20.57 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.421 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.3 p -69.06 -77.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 51.8 t -40.69 -47.93 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.831 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.14 -60.71 3.11 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -55.13 -30.94 60.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.95 9.8 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 23.0 mttt -145.46 61.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.569 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . 171.32 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.61 -160.46 24.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -112.82 27.9 9.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 7.1 t70 -59.89 -16.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER 87.11 -61.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.09 -33.85 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.85 -18.03 19.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -37.18 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -103.66 84.55 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.27 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' GLY . 43.3 p -131.59 -43.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -33.34 149.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 110' ' ' HIS . 37.3 m -87.09 -70.13 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -89.14 91.7 8.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.47 37.78 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 p -121.43 165.56 15.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.87 -0.52 16.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.6 m -107.95 -64.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 104' ' ' CYS . 43.0 m-70 -105.56 104.3 47.55 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.75 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -91.89 144.05 2.88 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.297 3.331 . . . . 0.0 109.59 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.062 0.935 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.721 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 75.7 Cg_endo -92.31 148.71 2.99 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.286 3.324 . . . . 0.0 109.563 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.17 -163.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 25.91 22.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -76.02 80.9 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -66.29 117.44 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.99 121.02 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 21' ' ' THR . 31.3 t0 -158.77 86.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -100.53 -5.97 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.836 HG22 HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -82.65 159.82 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.7 m -153.09 131.69 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.98 130.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.79 131.82 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.609 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 6.1 t80 -116.66 149.69 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -136.76 140.08 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.721 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 17.4 m80 -95.75 -8.78 33.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.769 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -84.86 -18.88 33.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 p -105.96 23.14 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -153.88 39.97 0.49 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.774 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -32.68 10.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.03 6.85 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 3.0 t -87.97 -65.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 161.23 143.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.14 38.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -177.54 40.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -111.6 -29.08 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 m -109.78 -27.82 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -93.25 88.89 6.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.789 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 5.1 p80 -107.7 33.37 4.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.15 0.906 . . . . 0.0 109.785 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 47' ' ' ALA . 5.7 mt-30 -111.56 92.24 16.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 86.2 Cg_endo -79.78 123.61 5.34 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.341 3.361 . . . . 0.0 109.561 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.82 -114.14 1.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -120.01 -0.4 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 10.0 mtmt -92.37 -0.0 57.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -43.46 -41.16 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.62 26.39 10.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.856 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -89.23 138.14 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.42 144.97 8.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 50' ' ' THR . 0.8 OUTLIER -85.73 64.28 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' CYS . 4.4 p -160.23 -38.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER -28.41 141.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' THR . 8.6 t70 -36.63 152.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 54' ' ' CYS . . . 58.82 38.88 93.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 53' ' ' GLY . 19.6 m -151.03 -132.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.429 ' NE2' HG11 ' A' ' 71' ' ' VAL . 20.8 m80 -104.86 59.91 0.69 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.78 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 41.7 t-20 -84.7 -48.01 9.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -39.36 115.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 36.9 mt -104.9 41.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.96 138.86 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -92.18 38.66 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.24 -29.71 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.68 127.83 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -91.56 37.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -114.96 169.07 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 65' ' ' VAL . 60.6 t -91.58 36.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -122.18 13.61 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.96 111.97 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 49' ' ' CYS . 49.1 t-105 -49.89 -26.29 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.608 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 69.7 t80 -98.16 44.92 1.03 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.801 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -137.84 -58.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -72.47 -4.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -94.91 -39.46 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.529 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 91.3 m-70 -109.15 14.16 24.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.741 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.797 ' HB2' HG21 ' A' ' 82' ' ' THR . 3.9 m-20 -74.94 62.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -47.11 -28.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.08 132.64 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.76 -140.39 6.53 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.98 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -134.3 135.82 24.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 13.4 Cg_endo -55.7 157.25 16.22 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.32 3.347 . . . . 0.0 109.597 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.797 HG21 ' HB2' ' A' ' 74' ' ' ASP . 20.9 p -106.4 -116.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.419 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.81 -43.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.26 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' ALA . 3.8 mt -82.08 -33.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' A' ' 82' ' ' THR . 23.0 p -53.78 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.7 t -39.22 -60.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.9 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.8 m-70 -44.25 -57.05 3.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.739 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -55.26 -30.34 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' CYS . 6.5 t0 -85.0 5.91 27.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.33 68.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.05 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -157.03 15.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 18.1 p-10 -77.58 -20.4 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.5 m-20 -59.43 85.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 98' ' ' LYS . 4.4 mtpp -45.08 -25.19 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 94' ' ' ASP . 19.5 tp10 -57.24 -34.91 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 4.58 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 95' ' ' LYS . 29.3 mtpt -98.62 -30.5 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 106' ' ' GLY . 23.8 mtpt -59.03 -43.24 91.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.2 tttt -102.01 79.71 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.9 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.05 -32.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.4 p -151.13 20.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -91.71 99.1 2.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.127 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 103' ' ' GLY . 85.4 m -39.56 -59.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HG3' ' OXT' ' A' ' 112' ' ' SER . 5.8 ttmm -106.97 90.44 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 126.43 37.92 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 51.7 p -125.01 161.34 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.03 -7.31 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.8 m -97.01 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -107.81 101.93 42.84 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.76 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -92.64 146.7 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.476 ' OXT' ' HG3' ' A' ' 105' ' ' LYS . 71.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.648 HG21 ' CD2' ' A' ' 26' ' ' HIS . 11.4 p . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.079 0.942 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.725 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 40.8 Cg_endo -78.86 124.73 6.31 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.301 3.334 . . . . 0.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 160.38 169.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 173.52 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 42.09 99.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.72 89.12 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 23' ' ' VAL . 1.1 mptp? -70.36 109.37 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.99 109.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.59 ' HB2' HG23 ' A' ' 21' ' ' THR . 32.5 t0 -151.9 68.23 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -79.73 -18.35 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 64.8 mt -105.89 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -116.3 139.56 50.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -125.54 130.16 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 9' ' ' LYS . 40.2 t -92.41 131.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 9.5 t80 -115.71 152.44 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -140.84 124.58 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' HG21 ' A' ' 3' ' ' VAL . 27.6 m80 -74.55 -8.45 56.37 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.765 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.8 p -90.94 9.04 32.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 9.8 p -129.85 25.58 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 64.2 m80 -163.21 32.25 0.09 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.79 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -29.98 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.54 2.72 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.01 137.89 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -41.7 112.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.73 -23.81 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.93 34.87 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t0 -102.56 -30.59 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.4 m -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.316 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -97.22 84.79 3.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.715 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.17 33.08 2.02 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.163 0.915 . . . . 0.0 109.712 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 2.4 mp0 -107.67 138.65 20.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.77 155.28 8.79 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 0.0 109.577 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.68 -174.35 51.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -74.05 -4.35 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 3.0 mmmm -91.87 13.27 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 3.6 tt0 -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -111.81 27.72 9.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -78.18 148.78 33.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -37.6 154.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 m -91.07 -41.15 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.7 p -86.71 38.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -103.14 90.31 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 51' ' ' THR . 10.2 t0 86.43 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' CYS . . . -39.54 -25.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' GLY . 66.9 m -31.09 -87.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' THR . 89.5 m-70 -140.97 56.37 1.56 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.741 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.0 p-10 -86.02 -51.28 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -37.16 115.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 38.3 mt -106.48 38.15 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 159.75 24.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -108.96 -32.63 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.62 66.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.58 111.02 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 2.7 mmtp -63.13 -141.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 17.9 m 69.95 154.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.67 36.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 20.2 m120 -117.11 10.7 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 2.9 m -100.71 111.8 24.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -46.27 -45.51 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 107.938 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.8 t80 -83.34 55.02 3.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.7 tptm -140.36 -58.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.99 -4.47 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.56 -40.42 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 52.7 m80 -111.24 18.1 19.63 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.737 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -80.31 77.0 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.19 69.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -62.39 -25.49 67.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.23 146.65 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.65 -148.14 6.96 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.49 -34.84 62.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -131.35 149.18 72.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 9.4 Cg_endo -51.24 153.42 9.64 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.274 3.316 . . . . 0.0 109.632 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.9 p -102.98 -104.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.7 m -148.77 -46.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -10.65 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.408 ' HG ' ' H ' ' A' ' 82' ' ' THR . 73.0 p -83.04 -75.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.95 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.8 t -42.11 -33.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' HG ' ' A' ' 101' ' ' LEU . 5.5 m-70 -70.63 -51.93 24.74 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.736 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 102' ' ' THR . 6.0 tttt -65.45 -36.4 83.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.88 -9.8 47.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -125.74 41.01 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -129.45 20.89 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.26 -108.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.1 p-10 -153.26 42.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.32 175.62 5.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 9.9 tttt -94.65 -55.22 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -49.46 -39.95 35.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -23.67 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.72 -66.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 101' ' ' LEU . 11.3 tttt -38.69 -30.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.791 ' C ' HG23 ' A' ' 102' ' ' THR . 0.2 OUTLIER -123.7 122.48 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.5 p 74.8 7.7 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 99' ' ' LYS . . . -80.27 154.25 36.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 62.9 m -98.99 -69.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -98.5 93.32 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.54 36.5 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 109' ' ' CYS . 1.3 p -130.26 157.42 42.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.63 -29.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.5 m -115.7 141.43 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.8 m-70 61.49 67.73 1.31 Allowed Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.745 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.622 ' O ' ' OXT' ' A' ' 112' ' ' SER . 74.1 Cg_endo -86.69 137.32 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.607 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.622 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 8.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.051 0.929 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.769 ' HG2' ' CG ' ' A' ' 26' ' ' HIS . 20.7 Cg_endo -60.58 134.23 53.31 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 0.0 109.578 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.19 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.75 175.7 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.6 28.04 22.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 120.31 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.531 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.78 109.36 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.0 mt -92.93 110.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' HG23 ' A' ' 21' ' ' THR . 16.5 t0 -154.76 69.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -75.67 -14.21 60.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.787 HG12 HD13 ' A' ' 58' ' ' LEU . 10.1 mt -104.62 155.52 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' C ' ' OG1' ' A' ' 21' ' ' THR . 16.8 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -152.49 140.26 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.7 t -123.13 125.4 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG22 ' HD2' ' A' ' 9' ' ' LYS . 21.4 t -87.6 128.48 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -120.93 144.8 48.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -129.43 124.12 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.769 ' CG ' ' HG2' ' A' ' 4' ' ' PRO . 2.1 m80 -70.57 -38.14 74.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.74 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -51.99 -31.32 28.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -92.19 18.46 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.443 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -150.67 30.56 0.66 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.774 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -24.39 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.616 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.1 p-10 -81.93 1.78 33.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' OD1' ' A' ' 31' ' ' ASP . 29.7 t -111.44 133.33 57.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.34 116.53 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -21.39 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 16.4 p30 -72.99 -16.99 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -74.0 -28.22 61.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 9.5 m -105.83 -47.46 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 94.7 m-70 -87.57 124.7 33.77 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.765 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -39.34 -61.08 0.83 Allowed 'General case' 0 CA--C 1.539 0.534 0 O-C-N 124.12 0.888 . . . . 0.0 109.792 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 3.2 mt-30 170.86 172.6 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' CD ' ' HG2' ' A' ' 40' ' ' GLN . 32.1 Cg_exo -56.43 145.94 76.54 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.358 3.372 . . . . 0.0 109.603 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.19 -162.09 35.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.99 -25.35 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' CA ' ' HB2' ' A' ' 47' ' ' ALA . 19.5 mtmt -109.58 26.88 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' OE1' ' CD1' ' A' ' 46' ' ' TYR . 1.6 tm0? -49.12 -65.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 23.1 m-85 -84.1 8.99 13.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.775 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' CA ' ' A' ' 44' ' ' LYS . . . -49.45 156.4 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . -37.29 157.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.84 -38.2 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.943 HG22 ' O ' ' A' ' 55' ' ' HIS . 7.2 p -102.3 24.63 9.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -58.74 161.25 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 143.78 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.9 34.66 79.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -138.01 -136.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.943 ' O ' HG22 ' A' ' 50' ' ' THR . 23.4 m-70 -98.28 66.01 1.73 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.771 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -97.01 -49.0 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -36.78 115.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 HG12 ' A' ' 13' ' ' ILE . 41.1 mt -106.36 37.29 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.67 138.95 41.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -96.89 50.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.05 -58.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.45 117.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.6 mmtt -76.65 -19.92 57.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' LYS . 3.0 m -38.62 154.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 65' ' ' VAL . 3.0 p -89.76 41.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -136.13 22.66 3.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -98.97 119.7 38.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.829 ' O ' HG22 ' A' ' 71' ' ' VAL . 32.1 t-105 -55.82 -46.08 78.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.646 ' CD2' ' ND1' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -72.62 -0.21 12.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.819 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 7.8 tttm -106.0 3.17 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 68' ' ' TRP . 7.1 m -115.06 9.56 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' SG ' ' A' ' 83' ' ' CYS . 83.4 t -129.7 -58.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' ND1' ' CD2' ' A' ' 69' ' ' TYR . 44.5 m80 -77.94 3.33 14.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.727 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.838 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.2 t0 -71.64 58.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.34 -32.97 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 77' ' ' GLY . 1.2 pttt -57.45 -49.33 76.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 76' ' ' LYS . . . 73.98 138.19 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.58 -139.17 8.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.86 51.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.9 144.49 52.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.09 152.71 57.17 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.294 3.329 . . . . 0.0 109.595 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.838 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -100.74 -98.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.552 ' SG ' HG13 ' A' ' 72' ' ' VAL . 56.1 m -146.81 -47.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -77.66 -32.48 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' CYS . 63.2 p -55.86 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 90' ' ' LYS . 46.3 t -41.67 -62.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 6.8 m-70 -40.36 -57.49 1.75 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.745 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -51.95 -48.59 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.34 -22.95 66.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' CYS . 9.6 mmtt -106.97 54.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.44 31.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 44.42 -105.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -164.14 39.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.29 154.91 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -23.14 56.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -58.77 -44.76 90.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.3 1.54 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -100.65 -30.1 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -68.46 -32.91 73.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 3.1 tttt -113.13 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.9 tp 172.7 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 103' ' ' GLY . 58.8 p -126.74 -42.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -38.16 160.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.54 -77.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -72.31 92.53 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.46 33.21 2.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -132.79 161.26 34.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.976 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.86 -25.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' SER . 29.3 m -115.03 141.82 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 104' ' ' CYS . 5.0 m-70 56.09 69.07 1.98 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.762 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 112' ' ' SER . 98.8 Cg_endo -87.94 142.67 5.67 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.329 3.352 . . . . 0.0 109.577 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.583 HG11 ' ND1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 122.077 0.941 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.623 ' HD2' ' CD2' ' A' ' 26' ' ' HIS . 71.8 Cg_endo -92.27 137.73 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.312 3.342 . . . . 0.0 109.572 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.81 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 171.83 13.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.32 22.27 32.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.81 74.28 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -50.7 138.74 17.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -113.14 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -158.13 71.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.68 -9.13 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -90.73 109.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -100.51 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 t -120.55 128.8 76.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.66 130.62 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -116.83 146.56 42.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -139.32 108.67 6.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.623 ' CD2' ' HD2' ' A' ' 4' ' ' PRO . 29.6 m-70 -53.68 -31.18 46.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.771 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -52.28 -28.5 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -99.42 19.77 14.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -156.48 39.7 0.34 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.725 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -101.97 -21.35 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.96 6.31 45.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG11 ' OD2' ' A' ' 36' ' ' ASP . 48.4 t -112.52 137.23 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -52.42 122.18 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -62.01 -16.97 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -77.97 -12.51 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' OD2' HG11 ' A' ' 32' ' ' VAL . 1.1 p-10 -77.29 -25.49 51.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 17.4 m -113.1 -39.87 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -104.33 81.92 1.87 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.76 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -89.88 32.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.084 0.865 . . . . 0.0 109.752 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.0 mp0 -95.58 168.41 10.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLN . 23.3 Cg_exo -62.74 140.46 80.59 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.359 3.373 . . . . 0.0 109.555 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.59 54.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -31.18 57.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 15.5 mmmt -115.75 -80.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER 40.05 25.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 22.6 m-85 -143.52 18.79 1.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.863 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.15 145.92 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.61 161.23 1.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.6 m -74.03 -48.71 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 55' ' ' HIS . 77.5 p -61.59 -67.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.2 m 36.66 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -117.41 137.63 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.66 50.73 61.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 50' ' ' THR . 9.3 m -149.26 -131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 50' ' ' THR . 35.5 m-70 -95.74 60.72 2.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.755 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 33.5 t-20 -92.87 -41.32 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.82 114.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 25.5 mt -103.45 42.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 156.6 35.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -106.4 -39.03 6.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.68 -14.97 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.56 110.95 23.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -137.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t 68.37 156.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 65' ' ' VAL . 77.3 t -91.74 35.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -118.98 10.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -96.85 107.07 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -44.61 -30.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.607 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 78.6 t80 -95.51 54.44 1.58 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.823 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.2 tptm -144.4 -58.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.49 -3.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.37 -43.72 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' NE2' ' CE1' ' A' ' 69' ' ' TYR . 82.7 m-70 -106.27 13.79 28.33 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.742 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.7 m-20 -77.1 67.77 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.38 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.88 -36.52 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.71 137.1 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.84 -139.89 6.01 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.81 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.42 148.55 61.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.58 156.17 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.337 3.358 . . . . 0.0 109.633 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.3 p -104.57 -105.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.2 m -145.32 -46.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -13.35 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 82' ' ' THR . 79.7 p -77.2 -75.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.3 t -41.12 -44.43 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.67 -54.13 50.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.803 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.35 79.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -13.82 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 57.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.51 -56.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.22 -102.75 2.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 21.5 t0 -142.46 46.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.68 175.5 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . 17.6 mttt -106.99 -64.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -57.4 -30.62 65.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.23 -2.02 57.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -110.97 -21.16 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 20.0 mtpp -80.7 -28.35 36.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.88 82.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.1 tp 172.37 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 103' ' ' GLY . 68.2 p -125.09 -38.95 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.64 159.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.08 -76.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -74.6 94.38 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.71 32.93 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -134.09 161.88 33.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.58 -23.45 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.1 m -112.35 134.29 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 108.347 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 104' ' ' CYS . 8.5 m-70 57.78 70.63 1.24 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.75 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.42 137.81 2.09 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.304 3.336 . . . . 0.0 109.62 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.116 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 122.082 0.944 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.702 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 95.9 Cg_endo -74.16 104.94 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.372 3.382 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 162.06 167.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.1 175.58 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 33.16 85.48 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.48 76.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 0.718 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.672 ' HG3' HG21 ' A' ' 21' ' ' THR . 2.8 tmtt? -58.18 114.32 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -93.39 106.48 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.98 71.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -86.8 -10.15 54.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -79.78 117.49 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 110' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.672 HG21 ' HG3' ' A' ' 9' ' ' LYS . 1.1 m -97.47 155.21 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.91 125.2 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.55 131.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.7 t80 -111.51 149.51 31.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.29 122.25 14.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 1.116 ' CE1' HG11 ' A' ' 3' ' ' VAL . 32.7 m-70 -69.33 -8.12 43.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 28' ' ' THR . 75.2 p -93.51 27.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 2.7 p -152.42 29.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 28' ' ' THR . 56.7 m80 -164.98 33.1 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.743 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -83.34 -26.54 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 5.64 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.2 t -105.65 134.54 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -40.07 114.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.5 t -51.72 -25.19 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -101.7 34.86 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.6 t0 -105.47 -30.78 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.7 m -105.7 -33.81 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -102.7 98.6 8.6 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.78 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -111.24 29.61 7.65 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.168 0.917 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.58 165.35 15.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.9 Cg_endo -76.88 152.34 32.12 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.3 3.334 . . . . 0.0 109.566 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.74 -30.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.2 t70 -72.36 66.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.632 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER 89.48 52.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -50.95 -23.24 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 24.78 12.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' CB ' ' A' ' 44' ' ' LYS . . . -60.54 148.09 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -42.22 142.48 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -73.49 -44.22 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' THR . 72.3 p -64.04 -68.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.9 OUTLIER 32.73 -139.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.83 142.64 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.72 37.14 67.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 50' ' ' THR . 30.9 m -134.27 -124.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.675 ' ND1' HG11 ' A' ' 71' ' ' VAL . 60.0 m-70 -104.69 58.02 0.7 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.764 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 10.7 p-10 -85.04 -47.76 9.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.97 115.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.7 mt -105.19 42.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -133.41 145.04 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.16 -29.7 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -18.51 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.71 135.43 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -100.36 123.38 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 159.93 163.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.5 t -91.82 33.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -119.38 9.03 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -97.72 116.93 30.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 71' ' ' VAL . 36.0 t-105 -53.19 -37.03 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.9 t80 -83.84 13.31 4.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.845 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.1 10.14 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.675 HG11 ' ND1' ' A' ' 55' ' ' HIS . 10.9 m -126.69 14.31 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.735 HG13 ' SG ' ' A' ' 83' ' ' CYS . 98.1 t -130.82 -57.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.3 m80 -80.51 1.98 27.22 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.744 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.742 ' HB3' HG21 ' A' ' 82' ' ' THR . 7.2 t0 -69.77 60.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -42.61 -28.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -66.29 -51.03 61.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 74.5 164.7 11.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -137.46 -135.95 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.62 -21.66 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.491 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 3.3 ttmt -141.81 139.66 18.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 28.8 Cg_endo -60.83 155.31 49.99 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.355 3.37 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.742 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -102.6 -101.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.735 ' SG ' HG13 ' A' ' 72' ' ' VAL . 59.5 m -140.57 -47.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -77.91 -32.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.605 ' HG ' ' H ' ' A' ' 82' ' ' THR . 45.8 p -55.56 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.1 t -39.14 -55.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -48.17 -58.33 4.67 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.779 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.44 -29.43 58.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.17 9.18 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -135.6 69.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -176.39 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.22 -113.72 2.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -136.1 49.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 25.8 t0 -98.51 177.56 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -99.51 -60.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 100' ' ' LYS . 6.7 mm-40 -56.57 -27.94 59.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.81 6.67 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -109.3 -24.96 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 31.76 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 39.5 tttt -133.63 -58.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.0 p -152.33 21.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.34 151.27 26.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 76.5 m -95.75 -65.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.643 ' HG2' ' OXT' ' A' ' 112' ' ' SER . 0.0 OUTLIER -105.51 92.1 4.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 119.38 36.56 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' N ' ' A' ' 109' ' ' CYS . 0.1 OUTLIER -133.28 161.83 33.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.86 -29.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 107' ' ' SER . 33.4 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.611 ' HB3' HD22 ' A' ' 20' ' ' LEU . 2.2 m-70 56.25 88.56 0.12 Allowed Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.769 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -92.83 144.06 2.34 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.325 3.35 . . . . 0.0 109.601 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.643 ' OXT' ' HG2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.552 HG11 ' CZ ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.47 164.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -108.38 138.84 20.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.829 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 11.2 Cg_endo -55.46 109.7 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' C ' ' CG ' ' A' ' 6' ' ' ASP . . . -42.44 -84.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -169.56 -177.35 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.87 26.33 22.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.75 102.85 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -79.26 110.87 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.32 107.36 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.63 ' HB2' HG23 ' A' ' 21' ' ' THR . 41.8 t0 -150.91 69.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.0 5.25 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.445 HD13 HAA2 ' A' ' 116' ' ' HEC . 1.0 OUTLIER -106.8 158.04 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 61.64 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.04 118.25 10.71 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -72.6 146.95 39.56 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 1.2 tt0 38.77 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -70.15 61.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . 5.5 t-20 -40.46 158.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 HBA2 ' A' ' 116' ' ' HEC . 8.0 mt -108.93 118.1 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -130.87 130.33 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 109' ' ' CYS . 3.8 t -112.72 127.66 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 9' ' ' LYS . 39.5 t -92.59 128.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' CE2' ' C1D' ' A' ' 113' ' ' HEC . 37.9 t80 -112.71 147.41 36.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.07 125.47 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.829 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 32.1 m80 -73.4 -9.06 58.3 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.746 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 p -92.92 26.21 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.5 p -147.26 25.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 28' ' ' THR . 68.5 m80 -163.75 32.03 0.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -79.79 -27.36 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.21 6.94 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -106.32 140.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -43.59 112.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -51.08 -23.55 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -105.63 36.27 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.4 t0 -103.21 -30.39 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -106.03 -35.96 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -95.79 80.7 3.39 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.746 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -89.3 33.97 0.81 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.216 0.947 . . . . 0.0 109.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 44' ' ' LYS . 1.2 mp0 -97.92 170.37 7.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 56.8 Cg_endo -81.24 -57.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.32 3.347 . . . . 0.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.49 -60.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.27 -21.03 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 40' ' ' GLN . 9.2 mtmp? -108.97 -15.32 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -47.11 -37.5 9.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CZ ' HG11 ' A' ' 1' ' ' VAL . 10.4 m-30 -103.88 20.63 17.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.819 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 136.13 46.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -44.23 164.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.06 -48.8 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' THR . 71.6 p -55.78 -69.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER 34.77 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 13.2 t70 -116.19 141.68 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.67 46.62 74.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 25.1 m -144.29 -124.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.419 ' C ' ' HA ' ' A' ' 50' ' ' THR . 54.8 m-70 -104.16 59.0 0.72 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.731 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 16.4 p-10 -89.3 -44.59 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.6 114.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -104.98 42.03 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.92 151.3 39.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -102.4 -36.71 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.79 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.46 135.16 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 64' ' ' SER . 2.4 ttmt -88.23 -155.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 1.2 p 81.75 157.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.54 HG11 HAD2 ' A' ' 114' ' ' HEC . 4.5 p -91.69 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 27.1 m-80 -116.52 9.36 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.38 22.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -46.12 -36.22 5.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 108.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.768 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.2 t80 -92.2 53.4 2.13 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.808 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' SER . 13.7 tttt -144.49 -58.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.35 -2.11 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 t -95.37 -41.44 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.5 m80 -106.15 16.41 24.98 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.756 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.772 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.4 t0 -71.34 60.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.01 -29.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -66.34 -45.74 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 87.01 150.4 17.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.58 -146.0 6.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.619 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.5 -27.65 39.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -135.87 146.3 56.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -56.69 155.27 27.43 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' HB3' ' A' ' 74' ' ' ASP . 6.5 p -108.01 -107.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 62.6 m -135.99 -48.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -79.0 -31.82 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 82' ' ' THR . 31.9 p -55.87 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.8 t -37.79 -56.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CE1' HD12 ' A' ' 101' ' ' LEU . 6.3 m-70 -47.95 -57.8 5.25 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.756 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -30.79 60.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 7.08 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 mmtt -136.54 70.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' LYS . . . 179.67 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 104.86 -150.74 17.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.51 24.1 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.767 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -97.73 85.85 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.1 mtpp -39.16 -30.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 94' ' ' ASP . 8.0 tp10 -53.86 -54.62 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -91.7 1.12 57.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -32.59 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 95' ' ' LYS . 6.4 mtpt -65.27 -49.24 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -93.1 85.74 5.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 156.15 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' GLY . 25.5 p -140.41 -45.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.09 158.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.785 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 13.4 m -95.57 -73.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -81.32 99.65 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 34.71 2.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.4 t -127.01 162.38 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' O ' HMA3 ' A' ' 115' ' ' HEC . . . -83.04 49.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.656 ' O ' HG22 ' A' ' 22' ' ' VAL . 89.4 m -153.02 -49.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 104' ' ' CYS . 45.1 m-70 -129.65 79.78 72.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.746 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.17 138.02 8.68 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.928 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.783 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.011 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.785 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 1' ' ' VAL . 2.8 t70 38.4 -160.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.435 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -135.74 133.4 20.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.693 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 87.4 Cg_exo -43.08 135.36 5.57 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.45 -160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.05 163.42 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.03 24.3 32.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.92 159.35 16.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.19 133.33 47.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -98.33 116.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -154.61 89.09 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -103.89 -49.23 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 58' ' ' LEU . 4.1 mt -59.03 153.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -42.26 162.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.75 42.52 0.22 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.44 66.84 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -177.79 49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.83 61.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -86.0 -155.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.81 103.91 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -100.21 140.87 33.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.07 127.14 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -92.14 127.3 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 t80 -114.35 149.55 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.83 121.56 16.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 16.2 m80 -70.62 -8.36 51.15 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.748 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 p -87.94 -10.36 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.0 p -109.03 24.23 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 28' ' ' THR . 66.2 m80 -162.32 35.06 0.11 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.763 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -27.43 24.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -82.63 6.05 19.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG23 ' OD1' ' A' ' 31' ' ' ASP . 45.7 t -106.47 136.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -39.87 132.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.16 -5.7 37.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.24 12.99 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -83.51 -29.97 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.6 m -108.33 -40.51 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -93.34 94.37 8.7 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.773 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -104.6 30.46 5.39 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.146 0.904 . . . . 0.0 109.752 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.55 ' OE1' ' C1C' ' A' ' 114' ' ' HEC . 1.2 mp0 -92.32 139.54 24.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.44 156.05 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.379 3.386 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.2 -162.41 53.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -87.42 12.25 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.6 mmmt -94.94 15.11 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 12.8 tt0 -52.75 -21.49 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.2 21.2 16.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.827 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -80.16 144.07 33.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.709 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -45.57 153.51 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 4.5 m -87.41 -39.01 15.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 55' ' ' HIS . 59.2 p -84.58 43.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.3 m -92.99 156.73 16.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.8 t70 -38.6 131.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.39 49.25 80.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -149.75 -133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 50' ' ' THR . 33.3 m-70 -100.77 63.05 1.03 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.738 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 15.9 t-20 -94.05 -39.63 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.16 115.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 13' ' ' ILE . 21.8 mt -106.01 42.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.9 t0 -148.18 129.34 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -77.19 -15.76 59.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -57.58 -18.04 17.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.5 116.34 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -64.59 -138.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t 68.05 163.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.7 t -92.06 35.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.35 7.27 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.95 109.64 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -47.29 -37.31 10.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.65 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 75.0 t80 -90.68 55.42 2.97 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.859 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 5.8 tptm -143.68 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.45 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.27 -3.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -95.12 -38.2 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.6 m80 -111.39 16.56 20.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.759 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.75 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.3 m-20 -80.72 72.23 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -59.06 -25.06 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -60.51 -46.71 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.79 136.05 3.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.68 -143.82 8.04 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.914 ' HB3' ' O2A' ' A' ' 114' ' ' HEC . . . -58.62 -17.54 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.488 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -145.55 147.02 31.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 15.4 Cg_endo -55.1 156.47 16.05 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.75 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.0 p -108.74 -104.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.423 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.5 m -142.4 -46.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.588 HG21 ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -81.38 -24.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -65.05 -77.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.8 t -40.46 -51.37 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 108.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.73 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.9 m-70 -52.65 -56.9 12.16 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.72 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -27.94 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.81 6.99 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -136.61 69.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.22 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.38 -156.62 24.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.13 -18.6 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 96' ' ' GLU . 5.8 m-20 -61.09 82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.3 pttp -47.94 -23.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 94' ' ' ASP . 68.6 mt-10 -56.85 -34.9 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.49 7.57 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -32.3 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -59.58 -35.4 74.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.54 86.85 2.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.74 -25.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 103' ' ' GLY . 34.0 p -136.98 -45.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.07 162.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.491 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.2 OUTLIER -105.68 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -75.58 93.19 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.63 30.66 2.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.42 157.62 42.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.808 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -43.41 -27.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 68.9 m -111.06 139.75 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.424 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 11.0 m-70 55.89 66.83 3.3 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.76 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 67.8 Cg_endo -87.65 139.35 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.372 3.382 . . . . 0.0 109.632 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.897 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.914 ' O2A' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.008 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.687 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 1' ' ' VAL . 1.8 t70 35.55 -156.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -143.9 138.42 15.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.916 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 19.1 Cg_endo -58.86 127.71 25.36 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.328 3.352 . . . . 0.0 109.593 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' PRO . . . -57.19 -162.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.01 169.86 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.25 23.27 35.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.68 113.53 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.642 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -85.93 124.06 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.45 114.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 57.5 t0 -155.52 71.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -81.42 -12.2 59.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 ' HA ' HD13 ' A' ' 58' ' ' LEU . 2.2 mt -86.94 144.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.31 61.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.03 160.88 50.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.06 -151.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -52.18 -20.85 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 60.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -65.08 93.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.649 HD12 HBA2 ' A' ' 116' ' ' HEC . 59.2 mt -91.12 100.59 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.642 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.24 134.06 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.94 128.57 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 t -88.6 130.51 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' CE2' ' C1D' ' A' ' 113' ' ' HEC . 15.2 t80 -119.57 148.81 42.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.21 126.62 18.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.916 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 20.9 m80 -73.76 -12.65 60.77 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.771 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.9 p -91.11 29.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 6.2 p -151.2 28.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 57.3 m80 -164.42 32.75 0.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.782 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -85.64 -29.82 23.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.84 5.72 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.7 t -88.01 -69.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.5 OUTLIER 161.4 142.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.81 38.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 2.1 p-10 -171.77 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.513 ' OD2' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -114.91 -30.04 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 m -109.31 -20.67 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.01 81.84 1.6 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.776 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -96.65 34.26 1.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.119 0.887 . . . . 0.0 109.79 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.44 167.22 11.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' GLN . 33.8 Cg_exo -57.99 165.19 7.12 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 0.0 109.568 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -2.52 67.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.55 -6.42 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -137.1 15.51 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' PRO . 4.5 tt0 -51.38 -23.0 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -113.16 26.31 10.58 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.804 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.21 154.79 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -36.31 153.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.52 -38.44 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 55' ' ' HIS . 22.2 p -107.32 38.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.98 169.11 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.431 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -53.65 145.19 15.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.95 34.66 72.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.6 m -139.11 -135.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.823 ' O ' HG22 ' A' ' 50' ' ' THR . 23.3 m-70 -102.34 75.47 1.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.795 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.1 t-20 -101.99 -47.67 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -38.31 116.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 13' ' ' ILE . 40.4 mt -105.86 42.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 33.2 t0 -133.68 156.8 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -103.6 -26.51 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.75 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -109.53 127.75 54.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.5 tttt -87.84 -150.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 84.83 166.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' VAL . 40.3 t -92.07 34.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -124.72 14.84 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -106.07 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -43.81 -30.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.025 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.725 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 77.3 t80 -96.08 50.52 1.18 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.793 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -140.35 -58.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.26 -2.32 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.23 -40.28 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.725 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.8 m80 -109.6 15.17 23.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.786 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.762 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.9 m-20 -77.51 67.54 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -52.78 -27.43 17.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -58.34 -54.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.11 130.94 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.23 -140.97 8.78 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.652 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -55.56 -28.8 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -136.51 146.31 55.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 14.6 Cg_endo -55.14 155.58 18.87 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.325 3.35 . . . . 0.0 109.614 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.762 HG21 ' HB2' ' A' ' 74' ' ' ASP . 7.4 p -105.94 -108.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.4 m -136.8 -46.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -80.03 -30.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.474 ' HG ' ' H ' ' A' ' 82' ' ' THR . 43.4 p -58.09 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.7 t -37.66 -54.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.726 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -50.41 -59.74 3.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -28.26 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.49 10.25 28.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -136.72 70.2 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.716 ' HB3' ' CE ' ' A' ' 98' ' ' LYS . . . -172.16 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.22 21.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 22.6 p-10 -74.12 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -62.75 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -47.54 -23.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 94' ' ' ASP . 28.0 tp10 -55.76 -33.54 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.1 4.14 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.716 ' CE ' ' HB3' ' A' ' 91' ' ' ALA . 16.1 mmtp -97.36 -38.79 9.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.15 -34.48 68.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.16 86.17 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.78 -25.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' GLY . 37.7 p -135.54 -46.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.05 162.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.609 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.0 OUTLIER -105.28 -76.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -74.52 93.86 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.44 31.18 2.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.62 158.81 41.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.737 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.817 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -44.98 -26.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.525 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 68.1 m -112.15 140.88 46.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.422 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 14.8 m-70 55.63 65.78 4.25 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.748 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 69.3 Cg_endo -86.42 140.6 6.42 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.266 3.311 . . . . 0.0 109.644 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.737 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.844 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.024 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.649 HBA2 HD12 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.764 HG13 ' OH ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' VAL . 14.0 m-20 -40.26 161.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.999 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -96.24 162.11 24.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.999 ' HD2' HG22 ' A' ' 3' ' ' VAL . 58.6 Cg_endo -86.45 137.15 4.9 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.295 3.33 . . . . 0.0 109.636 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.07 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.29 178.31 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.63 23.42 30.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -82.02 162.75 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -140.97 120.7 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.7 mt -98.57 120.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.578 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t0 -157.59 89.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.51 1.01 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -108.88 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.82 163.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.68 129.95 1.08 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 18' ' ' LYS . . . -57.94 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -39.8 -29.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 16' ' ' GLY . 3.3 tttp -87.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.25 171.85 9.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.559 HD22 HBA2 ' A' ' 116' ' ' HEC . 0.0 OUTLIER -135.48 131.06 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -136.12 128.93 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.47 128.62 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 34.2 t -89.48 129.92 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CZ ' ' CHD' ' A' ' 113' ' ' HEC . 9.4 t80 -112.76 144.27 42.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -133.49 121.56 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.65 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 17.1 m80 -72.29 -32.55 66.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.789 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -51.31 -33.33 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.907 HG21 ' O1A' ' A' ' 115' ' ' HEC . 2.5 p -97.57 18.32 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.417 ' CG ' HBC2 ' A' ' 113' ' ' HEC . 40.6 m80 -149.72 34.12 0.69 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.777 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -32.34 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.41 4.77 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.8 128.66 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.88 120.65 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.26 -20.69 60.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -75.36 -14.24 60.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -76.52 -24.26 53.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 26.1 m -112.68 -40.73 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.21 87.44 3.44 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.752 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 9.3 p80 -99.96 36.43 1.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.119 0.887 . . . . 0.0 109.794 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 6.6 mm100 -102.94 105.12 43.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 59.6 Cg_endo -77.21 -27.42 6.67 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.275 3.317 . . . . 0.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -52.19 -172.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.522 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 30.0 t70 -90.36 38.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 12.7 mtmt -161.6 61.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 2.1 tt0 -51.48 -22.18 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.764 ' OH ' HG13 ' A' ' 1' ' ' VAL . 23.2 m-85 -100.39 19.37 16.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.831 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -66.76 142.54 57.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.719 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -47.83 146.44 4.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 20.7 m -73.56 -44.11 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' THR . 54.5 p -64.88 -69.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER 34.24 -141.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -115.27 140.26 49.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' THR . 15.1 m -146.18 -128.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.457 ' C ' ' HA ' ' A' ' 50' ' ' THR . 40.1 m-70 -100.99 56.06 0.85 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.795 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.9 p-10 -85.86 -46.55 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.38 115.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.0 mt -105.5 42.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.44 165.5 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -34.97 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.88 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.02 115.09 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -138.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.6 t 69.41 159.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 65' ' ' VAL . 70.3 t -92.11 35.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 1.7 m-80 -118.44 10.35 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.24 110.25 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -46.64 -31.1 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.796 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 72.8 t80 -94.46 47.48 1.18 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.82 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -139.1 -59.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -70.62 -6.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -91.58 -41.47 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.796 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.0 m80 -108.06 15.67 24.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.737 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.0 m-20 -77.8 66.58 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.29 -28.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.7 tptt -115.72 85.59 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -122.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.04 -99.4 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.991 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -62.24 -41.15 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.509 ' CB ' HBA1 ' A' ' 114' ' ' HEC . 0.0 OUTLIER -132.71 144.96 55.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 57.8 Cg_endo -66.61 163.19 33.79 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.278 3.319 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.737 HG21 ' CB ' ' A' ' 74' ' ' ASP . 9.4 p -107.63 -110.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.9 m -137.87 -45.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.82 -27.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' CYS . 66.2 p -61.99 -81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.2 t -36.4 -48.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.649 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.5 m-70 -55.82 -58.42 7.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.71 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -48.59 76.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -16.09 64.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' CYS . 63.8 mmtt -109.71 32.5 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB3' ' HD3' ' A' ' 98' ' ' LYS . . . -135.14 24.4 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.68 -134.47 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -112.16 -15.35 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.75 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.2 m-20 -64.81 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -44.46 -25.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 94' ' ' ASP . 58.5 tt0 -56.06 -35.29 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -8.73 58.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.516 ' HD3' ' HB3' ' A' ' 91' ' ' ALA . 2.4 mmmm -84.92 -32.86 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -53.38 -38.62 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -115.83 88.9 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.87 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' GLY . 47.4 p -136.5 -44.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.57 162.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.512 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.1 OUTLIER -105.52 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 93.32 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.66 30.63 2.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.77 160.65 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.018 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.621 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -54.13 -19.76 5.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.499 ' HB2' ' CMC' ' A' ' 116' ' ' HEC . 94.1 m -113.16 118.93 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 108.269 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.0 m-70 69.71 69.71 0.39 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.73 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.446 ' O ' ' OXT' ' A' ' 112' ' ' SER . 71.7 Cg_endo -87.17 140.27 5.54 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.294 3.33 . . . . 0.0 109.56 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 9.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 1.027 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.991 ' CGA' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.047 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.769 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.52 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 2.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' VAL . 1.4 m-20 -36.65 153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.723 HG12 ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -111.6 175.69 1.79 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.723 ' CD ' HG12 ' A' ' 3' ' ' VAL . 59.1 Cg_endo -85.26 137.17 5.96 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 0.0 109.584 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -177.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.18 172.44 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.45 22.2 35.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.21 82.53 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -56.25 124.48 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.45 117.44 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -155.98 82.64 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -96.86 -13.99 22.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.742 HD12 ' O1A' ' A' ' 116' ' ' HEC . 35.0 mt -105.83 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.73 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.16 161.58 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.75 -177.86 2.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 4.0 tt0 -38.92 -87.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.383 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -40.37 98.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLU . 22.7 t-20 -40.31 131.61 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -106.33 92.77 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.41 135.04 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.68 130.59 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.84 132.86 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -123.5 145.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -135.38 124.12 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' HG11 ' A' ' 3' ' ' VAL . 10.0 m80 -70.37 -12.49 61.62 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.758 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 p -84.98 -15.01 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 29.5 p -103.27 22.1 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' THR . 67.7 m80 -161.18 35.39 0.14 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.77 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.24 -29.44 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.98 6.38 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.0 t -102.7 138.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ASP . 1.2 mptt -39.77 111.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -52.97 -21.97 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -105.81 31.14 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.7 t0 -100.38 -29.53 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.2 m -106.3 -36.42 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -98.3 84.49 3.24 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.767 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -88.61 33.02 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.102 0.876 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.6 mp0 -91.72 170.6 9.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 40' ' ' GLN . 61.1 Cg_endo -85.53 -57.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.299 3.333 . . . . 0.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.7 -63.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.96 -19.7 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 36.7 mttp -107.94 -15.19 14.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 29.8 tt0 -46.05 -36.25 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 6.0 m-85 -108.04 23.49 14.4 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.793 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -94.28 154.46 17.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -45.51 152.49 0.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.14 -46.76 22.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' THR . 11.0 p -77.5 -51.38 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 31.94 -146.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -117.56 150.25 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.16 17.14 10.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ASN . 56.7 m -114.75 -99.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 50' ' ' THR . 77.6 m-70 -132.14 63.36 1.62 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -92.51 -50.86 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -37.83 116.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 42.0 mt -105.6 42.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.96 170.67 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -119.1 -40.82 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.21 3.18 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.5 -39.89 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.78 -152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 22.8 t 67.67 159.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.0 t -91.87 35.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -125.58 15.67 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 1.9 m -102.05 112.21 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 108.02 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.79 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 86.7 t80 -85.88 55.83 3.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.777 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 64' ' ' SER . 16.6 tttt -146.01 -57.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.6 -1.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.86 -38.09 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.2 m80 -108.22 17.29 22.4 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.787 ' HB3' HG21 ' A' ' 82' ' ' THR . 2.8 t0 -75.57 57.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.11 -31.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -59.19 -42.7 91.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 85.23 135.77 3.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.67 -141.72 7.41 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -57.76 -42.38 83.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 147.77 52.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.11 150.75 30.56 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 0.0 109.592 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 74' ' ' ASP . 3.2 p -102.96 -104.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.47 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.6 m -142.23 -47.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD11 ' CHC' ' A' ' 116' ' ' HEC . 4.5 mt -77.4 -30.79 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 86' ' ' CYS . 62.9 p -59.79 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 85' ' ' SER . 44.5 t -36.15 -50.07 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.0 m-70 -55.55 -63.18 1.25 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -55.55 -25.36 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -93.84 13.48 22.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' HIS . 5.8 mmtt -142.72 73.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -178.91 -71.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.02 -157.34 15.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 2.8 p30 -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 96' ' ' GLU . 9.0 m-20 -59.98 84.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -44.1 -26.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 94' ' ' ASP . 45.6 mm-40 -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.703 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -99.26 8.52 44.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -96.95 -50.9 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -48.21 -43.47 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -100.36 81.47 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 154.72 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.429 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 6.9 p -148.74 18.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -88.73 95.93 2.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.907 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 64.7 m -40.46 -55.57 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -108.33 85.82 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.78 38.57 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 36.4 p -122.92 166.17 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.1 0.22 16.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 73.0 m -106.45 -60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -115.23 89.5 21.13 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.759 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 63.2 Cg_endo -91.51 140.01 2.45 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.852 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.852 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.021 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.907 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' VAL . 1.3 t70 39.15 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 4' ' ' PRO . 1.9 p -158.08 138.43 9.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 3' ' ' VAL . 52.9 Cg_exo -45.77 132.26 13.5 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.328 . . . . 0.0 109.578 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.64 170.24 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.69 165.79 23.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 24.46 37.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.83 120.17 27.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -94.61 124.7 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mt -97.99 117.94 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.9 t0 -157.2 77.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.04 -14.06 45.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.72 111.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 62.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . -106.96 125.17 7.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -45.88 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.88 16.08 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.77 ' O ' HD23 ' A' ' 20' ' ' LEU . 15.1 p-10 -85.1 -173.65 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 19' ' ' ASN . 0.5 OUTLIER -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -125.2 134.5 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.3 127.43 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 t -89.83 132.05 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.2 t80 -117.82 148.57 41.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.26 119.61 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -69.61 -7.99 43.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.78 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' THR . 73.3 p -97.58 33.26 2.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.6 p -155.93 31.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 28' ' ' THR . 48.9 m80 -165.3 32.76 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.771 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -83.2 -34.98 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 4.14 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.1 t -83.92 -71.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.757 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.2 OUTLIER 161.1 116.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.97 -14.52 48.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -120.41 35.26 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -111.58 -27.59 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 83.1 m -106.74 -31.86 8.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -102.05 101.76 12.16 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.8 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -112.63 27.37 9.69 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.167 0.917 . . . . 0.0 109.754 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.1 mp0 -89.08 140.57 29.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -86.48 156.1 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.339 3.359 . . . . 0.0 109.614 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.33 -165.48 48.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 14.23 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.4 mmmt -104.44 22.67 14.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 1.7 tt0 -53.04 -21.51 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' HB3' HMA3 ' A' ' 113' ' ' HEC . 0.3 OUTLIER -100.62 19.1 17.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.827 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -72.51 146.16 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.766 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -45.95 151.72 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 4.3 m -86.95 -38.79 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 55' ' ' HIS . 64.6 p -85.07 42.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.2 m -92.64 156.19 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' THR . 1.0 OUTLIER -38.02 130.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.19 49.82 74.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 51' ' ' THR . 14.3 m -149.88 -134.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 50' ' ' THR . 29.5 m-70 -100.57 62.58 1.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.777 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 12.4 t-20 -95.37 -42.81 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.21 115.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 27.8 mt -106.07 42.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.31 151.56 41.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -42.55 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.16 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.68 151.0 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 13.7 mmtt -110.22 -148.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m 67.4 165.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.0 t -92.2 35.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.78 10.81 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.46 109.7 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -47.24 -33.82 5.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 71.0 t80 -92.4 49.85 1.55 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.1 tptm -139.53 -59.17 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.96 -3.97 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.89 -41.78 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 65.0 m80 -108.92 16.02 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.769 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.73 ' CB ' HG21 ' A' ' 82' ' ' THR . 2.3 m-20 -78.1 77.06 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.8 -30.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.1 tptp -124.79 106.6 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.68 -126.1 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 -96.83 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.054 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -58.1 -34.04 69.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -148.29 146.88 24.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.489 ' CG ' ' OD2' ' A' ' 36' ' ' ASP . 52.8 Cg_endo -61.79 165.92 13.03 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.73 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -107.45 -107.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.9 m -142.96 -47.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.602 HD11 ' HHC' ' A' ' 116' ' ' HEC . 1.6 mt -80.96 -19.07 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.491 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -70.63 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' LYS . 53.5 t -40.28 -47.24 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.51 -60.59 3.32 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -50.71 -43.47 57.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.33 -24.96 62.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 mtmt -107.74 55.61 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.848 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . 168.81 -43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 98' ' ' LYS . . . -36.15 94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -169.1 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -142.17 145.14 33.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -30.63 54.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.41 -44.81 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -89.77 -4.73 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CE ' ' HA2' ' A' ' 92' ' ' GLY . 5.1 tptp -92.89 -29.57 15.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' GLY . 9.5 mtpp -63.17 -50.74 69.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 3.2 tttt -92.87 87.03 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.848 HD23 ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER 157.61 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 103' ' ' GLY . 15.4 p -145.58 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -31.71 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.85 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 13.4 m -34.07 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 92.69 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 117.89 32.91 1.34 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 15.6 p -128.76 148.01 50.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 0.801 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.951 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -39.74 -29.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.476 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.4 m -108.41 136.13 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.7 m-70 60.18 63.58 2.97 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.771 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 85.2 Cg_endo -81.0 141.15 12.98 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.294 3.33 . . . . 0.0 109.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.934 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 1.054 ' CGA' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.025 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.85 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.726 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -125.03 -58.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 161.89 97.41 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.835 ' HG2' ' C4A' ' A' ' 113' ' ' HEC . 8.4 Cg_exo -35.36 114.54 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.282 3.321 . . . . 0.0 109.622 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -169.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.68 168.8 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.76 21.21 37.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 85.76 7.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.69 121.99 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.6 mt -98.92 122.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.51 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.0 t0 -159.06 83.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -96.88 -20.68 17.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 58' ' ' LEU . 21.1 mt -98.51 155.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 60.08 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' HA2' ' CGA' ' A' ' 116' ' ' HEC . . . -38.12 140.12 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -67.57 -82.26 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.57 96.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 47.0 -142.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -96.63 128.7 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD12 ' CBA' ' A' ' 116' ' ' HEC . 14.8 mt -101.56 123.17 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.27 133.75 23.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 t -116.22 129.1 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.22 133.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CZ ' ' CHD' ' A' ' 113' ' ' HEC . 29.3 t80 -124.32 140.82 52.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -127.51 126.15 41.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 6.3 m80 -73.28 -35.02 66.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.791 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -61.47 -26.29 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 25' ' ' ASN . 70.3 p -89.72 12.42 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.456 ' HB3' HBC2 ' A' ' 113' ' ' HEC . 57.3 m80 -150.89 35.68 0.61 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.779 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -29.99 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.41 2.46 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 25.2 t -102.14 142.61 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' VAL . 13.5 mmtm -40.18 137.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -85.73 16.97 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.59 25.91 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -101.77 -28.82 12.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -107.23 -33.4 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -101.65 80.22 2.02 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.728 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -93.42 34.79 1.13 Allowed 'General case' 0 CA--C 1.539 0.545 0 O-C-N 124.161 0.913 . . . . 0.0 109.79 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -114.12 144.84 32.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLN . 61.1 Cg_endo -78.88 149.89 23.31 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . -37.21 -30.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -53.82 -49.79 67.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 47' ' ' ALA . 1.4 mtpt -137.34 35.96 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -52.79 -61.21 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -85.06 9.24 15.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.831 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 44' ' ' LYS . . . -58.67 149.72 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -37.55 152.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.2 t -86.22 -40.93 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 55' ' ' HIS . 12.8 p -99.79 30.52 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.85 177.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.3 t70 -66.06 147.7 52.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.94 14.55 24.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.547 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 21.6 m -115.65 -132.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 50' ' ' THR . 36.8 m-70 -104.78 67.7 0.82 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.748 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 18.1 p-10 -96.24 -43.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.65 117.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 26.0 mt -106.06 43.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.78 164.15 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -108.74 -51.28 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.02 -14.58 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.97 82.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 6.4 mmmt 76.94 -148.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 160.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.9 p -91.94 34.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 54' ' ' CYS . 3.5 m120 -127.77 17.23 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -98.89 110.84 23.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -48.39 -43.67 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.656 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 87.7 t80 -85.08 53.55 2.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.845 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.1 tptm -142.51 -59.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.1 m -69.42 -8.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 t -88.66 -38.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 39.6 m80 -111.95 17.83 19.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.771 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.729 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.5 m-20 -78.67 61.41 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -51.43 -29.13 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -56.29 -32.08 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.55 140.83 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.8 -137.49 4.82 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.727 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -59.18 -41.39 88.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -125.39 147.77 58.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 10.5 Cg_endo -52.33 150.88 18.98 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.339 3.359 . . . . 0.0 109.57 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.729 HG21 ' HB2' ' A' ' 74' ' ' ASP . 4.8 p -99.21 -107.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.395 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -144.59 -47.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -80.22 -14.95 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.442 ' HG ' ' H ' ' A' ' 82' ' ' THR . 88.1 p -76.43 -77.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 52.7 t -39.65 -39.81 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.502 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 5.4 m-70 -63.77 -53.07 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.779 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -61.85 -16.98 54.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 16.22 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -142.49 73.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -179.45 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.1 -153.87 21.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 1.3 p30 -75.05 -20.43 59.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 96' ' ' GLU . 4.8 m-20 -63.07 80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 2.6 pttm -44.78 -25.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 94' ' ' ASP . 1.2 tt0 -54.76 -33.28 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -98.6 7.59 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -102.2 -33.93 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -58.54 -36.78 74.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -107.5 81.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp 171.28 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' GLY . 82.5 p -116.06 -26.56 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -43.71 170.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.8 OUTLIER -116.58 -75.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -80.51 90.65 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.33 31.49 1.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 109' ' ' CYS . 56.2 p -128.43 163.86 23.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.847 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -45.88 -25.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.9 m -117.39 145.0 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.437 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 6.9 m-70 56.31 63.33 5.86 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.765 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 88.5 Cg_endo -83.54 137.8 8.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.299 3.332 . . . . 0.0 109.602 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.917 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.899 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.005 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.636 ' CGD' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.474 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' VAL . 35.8 m-20 -42.76 163.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 30' ' ' LYS . 2.8 m -66.99 152.49 95.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.654 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 72.8 Cg_endo -75.6 135.92 18.59 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.267 3.311 . . . . 0.0 109.563 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.98 171.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 172.23 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.36 33.16 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 112.45 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.08 115.23 26.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' CGD' ' A' ' 116' ' ' HEC . 55.7 mt -97.43 111.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.607 ' HB2' HG23 ' A' ' 21' ' ' THR . 26.6 t0 -150.41 87.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -98.93 -5.79 30.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.522 HG21 ' O2A' ' A' ' 116' ' ' HEC . 3.6 mt -105.59 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -43.65 67.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.99 -95.04 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.13 82.17 0.04 OUTLIER Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 36.7 tt0 55.65 165.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 40.33 48.56 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' ND2' ' OD2' ' A' ' 11' ' ' ASP . 14.9 p-10 -85.84 -177.34 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' ND1' ' A' ' 110' ' ' HIS . 1.3 pt? -122.66 143.98 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 11' ' ' ASP . 6.9 m -127.71 139.54 52.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 t -109.53 128.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.03 131.26 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.5 t80 -112.7 150.97 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -139.35 122.05 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.654 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 25.1 m80 -79.04 -1.28 34.91 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.767 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 p -78.79 -30.12 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -102.48 23.67 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -147.87 32.16 0.85 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.735 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.639 ' HE2' HG21 ' A' ' 3' ' ' VAL . 9.3 mttt -89.11 -36.96 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.69 2.78 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 50.5 t -106.8 124.13 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -48.25 127.46 12.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -69.82 -8.65 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.6 OUTLIER -76.39 -29.09 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 70.3 m -113.53 -39.05 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -96.24 84.47 3.77 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -100.52 34.77 2.31 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.208 0.942 . . . . 0.0 109.789 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.618 ' OE1' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -100.48 107.61 49.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.63 156.48 21.41 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.324 3.35 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.53 -131.2 10.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -127.69 22.64 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -135.77 47.89 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -20.61 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 1.6 m-85 -106.21 13.75 28.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.872 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.618 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . . . -49.2 151.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.786 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -36.68 140.71 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' CZ3' ' A' ' 68' ' ' TRP . 3.6 t -80.39 -41.13 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.852 HG22 ' O ' ' A' ' 55' ' ' HIS . 18.2 p -102.0 40.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -73.45 172.98 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 5.2 p-10 -60.93 142.93 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.28 25.67 60.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.6 m -126.35 -133.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.852 ' O ' HG22 ' A' ' 50' ' ' THR . 28.7 m-70 -103.32 68.6 0.97 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.749 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.0 p-10 -97.14 -47.04 5.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -39.94 115.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.4 mt -105.05 43.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -131.39 177.13 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -136.85 34.57 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.32 13.49 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -18.64 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER 63.85 -145.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.2 m 61.47 161.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 47.7 t -91.86 38.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -125.32 18.98 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -106.85 106.74 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' CZ3' ' SG ' ' A' ' 49' ' ' CYS . 40.9 t-105 -43.35 -30.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.629 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.2 t80 -94.6 46.0 1.13 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.847 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -138.08 -59.81 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -68.82 -7.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.33 -43.26 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.6 m80 -108.11 18.03 21.63 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.738 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -79.54 70.66 6.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.79 -33.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 100.88 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.22 -129.71 1.51 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.76 -97.26 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.892 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.35 -35.79 63.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -151.46 146.68 19.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 33.4 Cg_endo -60.12 161.64 18.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.301 3.334 . . . . 0.0 109.582 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.738 HG21 ' CB ' ' A' ' 74' ' ' ASP . 5.0 p -104.49 -111.3 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 60.8 m -139.23 -45.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.42 -26.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.0 p -63.27 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.501 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 52.9 t -36.95 -46.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 90' ' ' LYS . 5.3 m-70 -58.75 -63.59 1.24 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.753 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -18.33 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.58 26.46 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.501 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -146.27 45.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 97' ' ' LEU . . . -160.65 36.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 27.4 -100.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.9 p-10 -153.61 43.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 22.5 t70 -93.31 176.57 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -99.05 -64.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.0 -30.13 46.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.011 ' O ' HD21 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -94.28 8.33 42.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.42 -25.29 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -88.54 -52.52 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.481 ' C ' HD13 ' A' ' 101' ' ' LEU . 20.5 tttp -42.5 -26.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.42 131.47 45.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.767 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.4 p 72.99 3.22 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 107' ' ' SER . . . -83.98 92.45 1.7 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.909 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 76.0 m -36.83 -59.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -114.12 97.98 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.0 40.08 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.2 p -144.75 152.88 41.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.533 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -39.68 -29.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 44.2 m -102.6 134.33 46.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.445 ' ND1' HD12 ' A' ' 20' ' ' LEU . 2.1 m-70 52.35 85.67 0.18 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.777 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -89.81 144.18 4.38 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.283 3.322 . . . . 0.0 109.615 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.979 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 1.032 ' CGD' HMD1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.03 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.909 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.52 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 1' ' ' VAL . 7.0 m-20 -38.21 158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -114.09 80.91 5.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 29.8 Cg_endo -86.04 -178.56 2.89 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.332 3.355 . . . . 0.0 109.594 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.97 162.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -169.65 172.96 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.21 38.28 92.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB1' ' O1D' ' A' ' 113' ' ' HEC . . . -82.65 81.16 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.15 121.24 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.63 113.86 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.541 ' HB2' HG23 ' A' ' 21' ' ' THR . 47.1 t0 -156.51 70.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -82.04 8.21 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.638 HD13 ' O2A' ' A' ' 116' ' ' HEC . 1.1 mp -116.67 138.45 47.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.39 58.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.92 -80.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.597 1.185 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.72 -162.94 15.46 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' ASN . 17.7 tt0 -39.03 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -70.06 62.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.888 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.9 t-20 -50.12 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.955 HD12 ' O2D' ' A' ' 116' ' ' HEC . 0.1 OUTLIER -136.08 110.65 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.1 m -123.06 127.95 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 t -111.38 129.06 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -89.58 127.91 41.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 8.5 t80 -110.58 152.24 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.24 118.55 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.849 ' CD2' HG11 ' A' ' 3' ' ' VAL . 17.9 m80 -71.15 -4.21 24.19 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.759 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 20.0 p -97.76 24.27 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.0 p -147.48 27.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 28' ' ' THR . 55.4 m80 -163.17 31.99 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 27' ' ' SER . 4.3 mttm -80.94 -27.99 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 4.56 22.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.75 144.24 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 125.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.585 ' SG ' ' HHC' ' A' ' 113' ' ' HEC . 77.9 m -66.94 -9.07 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -83.69 -14.5 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -84.44 -21.57 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.673 ' O ' HBB2 ' A' ' 114' ' ' HEC . 76.9 m -112.69 -38.22 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' CYS . 76.7 m-70 -116.74 84.45 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.784 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -95.13 33.58 1.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.144 0.902 . . . . 0.0 109.799 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.1 165.91 14.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.08 149.31 25.35 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.27 3.314 . . . . 0.0 109.593 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -56.67 102.07 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.2 m-20 157.88 -43.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -130.89 25.59 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 21.1 tt0 -52.45 -22.35 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 0.0 OUTLIER -106.07 19.9 19.8 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.808 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.23 135.93 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.537 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -39.07 152.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 26.7 m -76.35 -46.87 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' THR . 76.1 p -59.38 -67.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.7 OUTLIER 35.09 -139.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.0 m-20 -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.91 44.32 87.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' THR . 19.9 m -141.71 -127.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' C ' ' HA ' ' A' ' 50' ' ' THR . 50.6 m-70 -100.87 59.97 0.94 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.751 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.7 t-20 -88.99 -46.37 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.02 114.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.9 mt -103.72 42.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 51.9 t0 -133.21 144.61 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.54 -6.09 53.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.2 87.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 119.91 20.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 13.62 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -73.44 167.51 21.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.5 t -91.55 35.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -128.71 18.04 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 111.18 23.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -46.16 -42.84 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 80.0 t80 -86.2 52.73 2.57 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.869 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -141.21 -59.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -72.23 -3.94 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.57 -40.26 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.787 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 61.5 m80 -109.79 16.55 21.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.789 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.746 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -80.31 69.24 6.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -53.32 -45.95 69.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -43.94 -44.95 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.54 140.6 6.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.71 -140.92 7.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.825 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.75 -38.32 67.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 149.69 73.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 36' ' ' ASP . 9.6 Cg_endo -49.29 153.15 4.86 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.327 3.351 . . . . 0.0 109.599 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.746 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.5 p -104.48 -102.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.501 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 60.6 m -145.07 -46.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -81.76 -22.34 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' A' ' 82' ' ' THR . 78.9 p -68.4 -77.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.499 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 47.0 t -39.41 -45.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.699 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.6 m-70 -58.04 -62.73 1.61 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.776 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -19.24 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.61 19.51 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -149.45 79.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.29 -54.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.44 -110.27 3.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 25.3 t70 -140.04 45.79 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 15.5 t70 -98.83 175.9 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' LYS . 28.4 mmtm -108.89 -66.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 99' ' ' LYS . 50.7 mm-40 -52.11 -32.4 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.76 -21.2 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -84.15 -30.05 26.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -84.9 -23.07 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -109.36 87.46 2.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.75 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 103' ' ' GLY . 36.8 p -137.93 -45.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.29 161.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.505 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.4 OUTLIER -104.64 -75.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -76.0 94.32 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.12 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.91 160.96 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.803 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -48.32 -24.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 64.4 m -113.68 139.41 49.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 9.6 m-70 55.84 68.99 2.06 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 89.2 Cg_endo -89.63 140.93 3.75 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.341 3.36 . . . . 0.0 109.575 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.986 HMB1 HBB2 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 1.005 ' CGD' HMD1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.01 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.955 ' O2D' HD12 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.96 ' O ' HMB2 ' A' ' 113' ' ' HEC . 7.3 t0 38.87 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 p -150.46 67.99 8.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 43.5 Cg_endo -92.36 -166.75 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.9 167.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.17 169.53 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 42.83 96.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -69.77 87.97 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 9.5 tptt -69.32 109.55 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.2 mt -97.78 114.79 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.9 t0 -158.48 70.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -89.98 -25.41 20.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -93.47 99.06 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.67 164.24 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.89 170.48 43.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.99 -165.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 18' ' ' LYS . 43.6 tt0 -38.86 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 66.79 77.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' C ' HD23 ' A' ' 20' ' ' LEU . 18.7 p-10 -82.64 138.52 34.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HBA2 ' A' ' 116' ' ' HEC . 2.7 mt -95.75 129.73 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -138.97 152.02 47.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.59 128.48 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 37.5 t -94.03 134.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.829 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 6.0 t80 -114.61 150.24 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -142.05 118.37 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.664 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 40.1 m80 -68.5 -7.14 29.49 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.767 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' THR . 75.4 p -95.28 31.4 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' SER . 3.2 p -157.57 32.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 28' ' ' THR . 51.6 m80 -165.34 34.53 0.06 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.787 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -85.35 -35.2 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.87 3.02 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.2 t -85.11 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.821 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.2 mttt 161.07 137.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.46 -47.97 58.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -91.6 38.05 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -108.44 -28.9 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' OD2' ' A' ' 36' ' ' ASP . 86.4 m -108.62 -34.88 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -100.81 90.41 4.21 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.755 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -94.59 30.46 2.01 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.172 0.92 . . . . 0.0 109.796 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.6 mp0 -109.37 161.93 22.08 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.8 Cg_endo -76.66 140.63 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.352 . . . . 0.0 109.63 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.86 -30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -46.97 -28.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.2 mtmt -170.47 36.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 33.5 tt0 -53.93 -21.05 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.47 23.29 14.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -83.92 145.92 28.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.591 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -44.18 153.01 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 22.1 m -76.61 -45.59 29.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' THR . 67.4 p -61.24 -66.74 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 33.77 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 42.6 t0 -118.63 140.87 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.78 42.03 84.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' THR . 24.0 m -139.26 -126.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.431 ' C ' ' HA ' ' A' ' 50' ' ' THR . 55.8 m-70 -101.59 59.0 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.747 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.2 t-20 -87.4 -47.27 8.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.22 116.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -105.92 42.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -133.68 145.38 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -87.92 -15.11 37.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.22 -72.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.47 114.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -90.76 80.27 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -149.97 170.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG11 ' CAD' ' A' ' 114' ' ' HEC . 5.7 p -91.05 34.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -121.03 10.38 10.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 m -101.63 116.11 32.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -50.94 -43.28 60.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 84.8 t80 -84.15 51.67 2.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.841 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.3 tptm -140.53 -58.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -71.39 -4.25 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.82 -40.76 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.804 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.9 m80 -109.89 16.21 22.12 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.742 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.735 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.3 m-20 -77.99 73.47 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.86 -30.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -120.62 100.84 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.08 -125.46 0.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.35 -95.22 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.01 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -60.24 -40.66 91.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.482 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -140.76 145.86 41.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 37.4 Cg_endo -61.81 163.78 18.02 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.298 3.332 . . . . 0.0 109.566 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -106.66 -112.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.2 m -138.53 -45.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -81.16 -20.57 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.421 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.3 p -69.06 -77.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 51.8 t -40.69 -47.93 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.831 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.14 -60.71 3.11 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -55.13 -30.94 60.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.95 9.8 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 23.0 mttt -145.46 61.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.569 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . 171.32 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.61 -160.46 24.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -112.82 27.9 9.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 7.1 t70 -59.89 -16.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER 87.11 -61.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.09 -33.85 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.85 -18.03 19.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -37.18 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -103.66 84.55 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.27 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.619 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 43.3 p -131.59 -43.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -33.34 149.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.878 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 37.3 m -87.09 -70.13 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -89.14 91.7 8.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.47 37.78 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 p -121.43 165.56 15.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.87 -0.52 16.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.6 m -107.95 -64.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 104' ' ' CYS . 43.0 m-70 -105.56 104.3 47.55 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.75 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -91.89 144.05 2.88 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.297 3.331 . . . . 0.0 109.59 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.96 HMB2 ' O ' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 1.01 ' CGA' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.012 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.878 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER -40.2 159.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.42 HG13 ' H ' ' A' ' 3' ' ' VAL . 1.4 m -60.92 167.78 3.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.721 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 75.7 Cg_endo -92.31 148.71 2.99 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.286 3.324 . . . . 0.0 109.563 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.17 -163.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 25.91 22.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -76.02 80.9 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -66.29 117.44 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.99 121.02 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 21' ' ' THR . 31.3 t0 -158.77 86.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -100.53 -5.97 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.836 HG22 HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -82.65 159.82 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.05 164.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.07 149.97 17.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.53 -168.1 40.65 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 47.7 tt0 -39.6 159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 1.8 mtpm? 41.09 71.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LYS . 11.0 t-20 -40.02 120.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -93.53 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.7 m -153.09 131.69 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.98 130.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.79 131.82 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.792 ' CE2' HMD2 ' A' ' 113' ' ' HEC . 6.1 t80 -116.66 149.69 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -136.76 140.08 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.721 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 17.4 m80 -95.75 -8.78 33.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.769 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -84.86 -18.88 33.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 p -105.96 23.14 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -153.88 39.97 0.49 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.774 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -32.68 10.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.03 6.85 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 3.0 t -87.97 -65.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.647 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.0 OUTLIER 161.23 143.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.14 38.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -177.54 40.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -111.6 -29.08 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 m -109.78 -27.82 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -93.25 88.89 6.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.789 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 5.1 p80 -107.7 33.37 4.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.15 0.906 . . . . 0.0 109.785 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.837 ' OE1' HMC2 ' A' ' 114' ' ' HEC . 4.2 mt-30 -111.56 92.24 16.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 86.2 Cg_endo -79.78 123.61 5.34 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.341 3.361 . . . . 0.0 109.561 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.82 -114.14 1.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -120.01 -0.4 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 10.0 mtmt -92.37 -0.0 57.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -43.46 -41.16 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.62 26.39 10.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.856 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -89.23 138.14 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.42 144.97 8.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 50' ' ' THR . 0.8 OUTLIER -85.73 64.28 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' CYS . 4.4 p -160.23 -38.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER -28.41 141.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' THR . 8.6 t70 -36.63 152.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 54' ' ' CYS . . . 58.82 38.88 93.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 53' ' ' GLY . 19.6 m -151.03 -132.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.631 ' CE1' HG11 ' A' ' 71' ' ' VAL . 34.7 m-70 -104.86 59.91 0.69 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.78 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 41.7 t-20 -84.7 -48.01 9.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -39.36 115.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 36.9 mt -104.9 41.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.96 138.86 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -92.18 38.66 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.24 -29.71 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.68 127.83 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -91.56 37.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -114.96 169.07 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 65' ' ' VAL . 60.6 t -91.58 36.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -122.18 13.61 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.96 111.97 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 49' ' ' CYS . 49.1 t-105 -49.89 -26.29 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.731 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.7 t80 -98.16 44.92 1.03 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.801 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -137.84 -58.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -72.47 -4.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -94.91 -39.46 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.731 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 64.4 m80 -109.15 14.16 24.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.741 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.797 ' HB2' HG21 ' A' ' 82' ' ' THR . 3.9 m-20 -74.94 62.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -47.11 -28.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.08 132.64 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.76 -140.39 6.53 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.98 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.641 ' HB3' HMA2 ' A' ' 114' ' ' HEC . 0.1 OUTLIER -134.3 135.82 24.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 13.4 Cg_endo -55.7 157.25 16.22 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.32 3.347 . . . . 0.0 109.597 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.797 HG21 ' HB2' ' A' ' 74' ' ' ASP . 20.9 p -106.4 -116.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.419 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.81 -43.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.26 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' ALA . 3.8 mt -82.08 -33.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' A' ' 82' ' ' THR . 23.0 p -53.78 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.7 t -39.22 -60.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.9 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.8 m-70 -44.25 -57.05 3.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.739 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -55.26 -30.34 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' CYS . 6.5 t0 -85.0 5.91 27.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.33 68.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.05 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -157.03 15.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 18.1 p-10 -77.58 -20.4 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.5 m-20 -59.43 85.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 98' ' ' LYS . 4.4 mtpp -45.08 -25.19 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 94' ' ' ASP . 19.5 tp10 -57.24 -34.91 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 4.58 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 95' ' ' LYS . 29.3 mtpt -98.62 -30.5 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 106' ' ' GLY . 23.8 mtpt -59.03 -43.24 91.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.2 tttt -102.01 79.71 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.9 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.05 -32.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.4 p -151.13 20.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -91.71 99.1 2.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.127 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.884 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 85.4 m -39.56 -59.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HG3' ' OXT' ' A' ' 112' ' ' SER . 5.8 ttmm -106.97 90.44 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 126.43 37.92 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 51.7 p -125.01 161.34 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.03 -7.31 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.8 m -97.01 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -107.81 101.93 42.84 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.76 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -92.64 146.7 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.476 ' OXT' ' HG3' ' A' ' 105' ' ' LYS . 71.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.792 HMD2 ' CE2' ' A' ' 24' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.923 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.023 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.884 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 40.2 m-20 -44.24 165.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.648 HG21 ' CD2' ' A' ' 26' ' ' HIS . 11.4 p -125.8 55.34 12.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.725 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 40.8 Cg_endo -78.86 124.73 6.31 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.301 3.334 . . . . 0.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 160.38 169.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 173.52 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 42.09 99.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.72 89.12 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 23' ' ' VAL . 1.1 mptp? -70.36 109.37 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.99 109.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.59 ' HB2' HG23 ' A' ' 21' ' ' THR . 32.5 t0 -151.9 68.23 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -79.73 -18.35 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.568 HG21 HBA1 ' A' ' 116' ' ' HEC . 64.8 mt -105.89 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ILE . . . -40.53 -44.51 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.16 -157.03 44.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.4 -175.82 50.47 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' ASN . 2.4 tt0 -40.46 -68.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -55.16 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 35.7 t-20 -43.23 139.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD12 HAA2 ' A' ' 116' ' ' HEC . 16.8 mt -108.21 97.4 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -116.3 139.56 50.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG23 ' O1D' ' A' ' 116' ' ' HEC . 11.5 t -125.54 130.16 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 9' ' ' LYS . 40.2 t -92.41 131.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 9.5 t80 -115.71 152.44 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -140.84 124.58 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' HG21 ' A' ' 3' ' ' VAL . 27.6 m80 -74.55 -8.45 56.37 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.765 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.8 p -90.94 9.04 32.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 9.8 p -129.85 25.58 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 64.2 m80 -163.21 32.25 0.09 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.79 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -29.98 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.54 2.72 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.01 137.89 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -41.7 112.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.73 -23.81 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.93 34.87 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t0 -102.56 -30.59 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.4 m -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.316 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -97.22 84.79 3.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.715 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.17 33.08 2.02 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.163 0.915 . . . . 0.0 109.712 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 2.4 mp0 -107.67 138.65 20.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.77 155.28 8.79 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 0.0 109.577 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.68 -174.35 51.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -74.05 -4.35 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 3.0 mmmm -91.87 13.27 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 3.6 tt0 -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.892 ' CZ ' HMB3 ' A' ' 113' ' ' HEC . 24.3 m-85 -111.81 27.72 9.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.846 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -78.18 148.78 33.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.573 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -37.6 154.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 m -91.07 -41.15 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.7 p -86.71 38.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -103.14 90.31 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 51' ' ' THR . 10.2 t0 86.43 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' CYS . . . -39.54 -25.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' GLY . 66.9 m -31.09 -87.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' THR . 89.5 m-70 -140.97 56.37 1.56 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.741 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.0 p-10 -86.02 -51.28 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -37.16 115.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 38.3 mt -106.48 38.15 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 159.75 24.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -108.96 -32.63 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.62 66.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.58 111.02 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 2.7 mmtp -63.13 -141.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 17.9 m 69.95 154.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.67 36.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 20.2 m120 -117.11 10.7 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 2.9 m -100.71 111.8 24.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -46.27 -45.51 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 107.938 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.8 t80 -83.34 55.02 3.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.7 tptm -140.36 -58.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.99 -4.47 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.56 -40.42 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 52.7 m80 -111.24 18.1 19.63 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.737 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -80.31 77.0 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.19 69.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -62.39 -25.49 67.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.23 146.65 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.65 -148.14 6.96 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.49 -34.84 62.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -131.35 149.18 72.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 9.4 Cg_endo -51.24 153.42 9.64 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.274 3.316 . . . . 0.0 109.632 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.9 p -102.98 -104.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.43 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 56.7 m -148.77 -46.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -10.65 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.408 ' HG ' ' H ' ' A' ' 82' ' ' THR . 73.0 p -83.04 -75.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.95 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB3' ' C2C' ' A' ' 115' ' ' HEC . 43.8 t -42.11 -33.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' HG ' ' A' ' 101' ' ' LEU . 5.5 m-70 -70.63 -51.93 24.74 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.736 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 102' ' ' THR . 6.0 tttt -65.45 -36.4 83.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.88 -9.8 47.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -125.74 41.01 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -129.45 20.89 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.26 -108.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.1 p-10 -153.26 42.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.32 175.62 5.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 9.9 tttt -94.65 -55.22 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -49.46 -39.95 35.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -23.67 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.72 -66.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 101' ' ' LEU . 11.3 tttt -38.69 -30.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.791 ' C ' HG23 ' A' ' 102' ' ' THR . 0.2 OUTLIER -123.7 122.48 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.5 p 74.8 7.7 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 99' ' ' LYS . . . -80.27 154.25 36.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.856 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 62.9 m -98.99 -69.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -98.5 93.32 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.54 36.5 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 109' ' ' CYS . 1.3 p -130.26 157.42 42.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -40.63 -29.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.5 m -115.7 141.43 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.8 m-70 61.49 67.73 1.31 Allowed Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.745 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.622 ' O ' ' OXT' ' A' ' 112' ' ' SER . 74.1 Cg_endo -86.69 137.32 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.607 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.622 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 8.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.911 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.744 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 0.981 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.856 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.14 -165.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -90.63 140.14 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.769 ' HG2' ' CG ' ' A' ' 26' ' ' HIS . 20.7 Cg_endo -60.58 134.23 53.31 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 0.0 109.578 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.19 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.75 175.7 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.6 28.04 22.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 120.31 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.78 109.36 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.0 mt -92.93 110.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' HG23 ' A' ' 21' ' ' THR . 16.5 t0 -154.76 69.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -75.67 -14.21 60.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.787 HG12 HD13 ' A' ' 58' ' ' LEU . 10.1 mt -104.62 155.52 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 165.04 11.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.75 -120.42 0.95 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.87 -137.02 2.15 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' ASN . 2.9 tt0 -39.77 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -60.77 83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' GLU . 8.4 t-20 -50.09 136.79 18.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' C ' ' OG1' ' A' ' 21' ' ' THR . 16.8 mt -112.85 115.13 27.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -152.49 140.26 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.7 t -123.13 125.4 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG22 ' HD2' ' A' ' 9' ' ' LYS . 21.4 t -87.6 128.48 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -120.93 144.8 48.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -129.43 124.12 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.769 ' CG ' ' HG2' ' A' ' 4' ' ' PRO . 2.1 m80 -70.57 -38.14 74.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.74 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -51.99 -31.32 28.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -92.19 18.46 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.443 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.513 ' O ' HMC2 ' A' ' 113' ' ' HEC . 50.1 m80 -150.67 30.56 0.66 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.774 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -24.39 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.1 p-10 -81.93 1.78 33.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' OD1' ' A' ' 31' ' ' ASP . 29.7 t -111.44 133.33 57.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.34 116.53 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -21.39 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 16.4 p30 -72.99 -16.99 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -74.0 -28.22 61.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 9.5 m -105.83 -47.46 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 94.7 m-70 -87.57 124.7 33.77 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.765 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -39.34 -61.08 0.83 Allowed 'General case' 0 CA--C 1.539 0.534 0 O-C-N 124.12 0.888 . . . . 0.0 109.792 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 3.2 mt-30 170.86 172.6 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' CD ' ' HG2' ' A' ' 40' ' ' GLN . 32.1 Cg_exo -56.43 145.94 76.54 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.358 3.372 . . . . 0.0 109.603 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.19 -162.09 35.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.99 -25.35 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' CA ' ' HB2' ' A' ' 47' ' ' ALA . 19.5 mtmt -109.58 26.88 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' OE1' ' CD1' ' A' ' 46' ' ' TYR . 1.6 tm0? -49.12 -65.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 23.1 m-85 -84.1 8.99 13.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.775 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' CA ' ' A' ' 44' ' ' LYS . . . -49.45 156.4 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.739 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -37.29 157.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.84 -38.2 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.943 HG22 ' O ' ' A' ' 55' ' ' HIS . 7.2 p -102.3 24.63 9.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -58.74 161.25 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -52.97 143.78 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.9 34.66 79.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 8.8 m -138.01 -136.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.943 ' O ' HG22 ' A' ' 50' ' ' THR . 23.4 m-70 -98.28 66.01 1.73 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.771 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -97.01 -49.0 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -36.78 115.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 HG12 ' A' ' 13' ' ' ILE . 41.1 mt -106.36 37.29 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.67 138.95 41.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -96.89 50.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.05 -58.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.45 117.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.6 mmtt -76.65 -19.92 57.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' LYS . 3.0 m -38.62 154.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 65' ' ' VAL . 3.0 p -89.76 41.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -136.13 22.66 3.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -98.97 119.7 38.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.829 ' O ' HG22 ' A' ' 71' ' ' VAL . 32.1 t-105 -55.82 -46.08 78.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.646 ' CD2' ' ND1' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -72.62 -0.21 12.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.819 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 7.8 tttm -106.0 3.17 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 68' ' ' TRP . 7.1 m -115.06 9.56 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' SG ' ' A' ' 83' ' ' CYS . 83.4 t -129.7 -58.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' ND1' ' CD2' ' A' ' 69' ' ' TYR . 44.5 m80 -77.94 3.33 14.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.727 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.838 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.2 t0 -71.64 58.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.34 -32.97 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 77' ' ' GLY . 1.2 pttt -57.45 -49.33 76.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 76' ' ' LYS . . . 73.98 138.19 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.58 -139.17 8.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -53.39 -32.86 51.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.813 ' HB2' HMA2 ' A' ' 114' ' ' HEC . 0.8 OUTLIER -128.9 144.49 52.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.09 152.71 57.17 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.294 3.329 . . . . 0.0 109.595 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.838 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -100.74 -98.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' SG ' HG13 ' A' ' 72' ' ' VAL . 56.1 m -146.81 -47.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -77.66 -32.48 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' CYS . 63.2 p -55.86 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 90' ' ' LYS . 46.3 t -41.67 -62.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 6.8 m-70 -40.36 -57.49 1.75 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.745 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -51.95 -48.59 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.34 -22.95 66.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' CYS . 9.6 mmtt -106.97 54.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.44 31.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 44.42 -105.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -164.14 39.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.29 154.91 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -23.14 56.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -58.77 -44.76 90.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.3 1.54 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -100.65 -30.1 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -68.46 -32.91 73.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 3.1 tttt -113.13 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.9 tp 172.7 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 103' ' ' GLY . 58.8 p -126.74 -42.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -38.16 160.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.702 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.0 OUTLIER -105.54 -77.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -72.31 92.53 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.46 33.21 2.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -132.79 161.26 34.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.976 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.659 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -46.86 -25.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 29.3 m -115.03 141.82 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 104' ' ' CYS . 5.0 m-70 56.09 69.07 1.98 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.762 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 112' ' ' SER . 98.8 Cg_endo -87.94 142.67 5.67 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.329 3.352 . . . . 0.0 109.577 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 1.015 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.94 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.037 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.702 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' A' ' 46' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER -51.23 -174.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -102.96 174.26 2.94 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD3' HG12 ' A' ' 3' ' ' VAL . 71.8 Cg_endo -92.27 137.73 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.312 3.342 . . . . 0.0 109.572 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.81 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 171.83 13.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.32 22.27 32.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.81 74.28 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -50.7 138.74 17.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -113.14 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -158.13 71.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.68 -9.13 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.542 HD13 ' O1A' ' A' ' 116' ' ' HEC . 2.2 mt -90.73 109.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.47 -43.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' HA3' ' ND2' ' A' ' 19' ' ' ASN . . . 54.88 -124.28 31.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . 169.92 81.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' ASN . 26.1 tt0 64.83 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLY . 27.0 mtmt -70.27 60.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.939 ' C ' HD23 ' A' ' 20' ' ' LEU . 1.9 t-20 -97.25 -170.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.939 HD23 ' C ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -129.78 113.9 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -100.51 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 t -120.55 128.8 76.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.66 130.62 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -116.83 146.56 42.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -139.32 108.67 6.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CD2' HG11 ' A' ' 3' ' ' VAL . 21.7 m80 -53.68 -31.18 46.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.771 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -52.28 -28.5 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -99.42 19.77 14.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -156.48 39.7 0.34 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.725 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -101.97 -21.35 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.96 6.31 45.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG11 ' OD2' ' A' ' 36' ' ' ASP . 48.4 t -112.52 137.23 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -52.42 122.18 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -62.01 -16.97 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -77.97 -12.51 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' OD2' HG11 ' A' ' 32' ' ' VAL . 1.1 p-10 -77.29 -25.49 51.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 17.4 m -113.1 -39.87 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -104.33 81.92 1.87 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.76 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -89.88 32.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.084 0.865 . . . . 0.0 109.752 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.0 mp0 -95.58 168.41 10.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLN . 23.3 Cg_exo -62.74 140.46 80.59 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.359 3.373 . . . . 0.0 109.555 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.59 54.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -31.18 57.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 15.5 mmmt -115.75 -80.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER 40.05 25.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 22.6 m-85 -143.52 18.79 1.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.863 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.15 145.92 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.593 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -50.61 161.23 1.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 40.6 m -74.03 -48.71 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 55' ' ' HIS . 77.5 p -61.59 -67.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.2 m 36.66 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -117.41 137.63 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.66 50.73 61.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 50' ' ' THR . 9.3 m -149.26 -131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 50' ' ' THR . 35.5 m-70 -95.74 60.72 2.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.755 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 33.5 t-20 -92.87 -41.32 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.82 114.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 25.5 mt -103.45 42.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 156.6 35.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -106.4 -39.03 6.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.68 -14.97 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.56 110.95 23.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -137.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t 68.37 156.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 65' ' ' VAL . 77.3 t -91.74 35.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -118.98 10.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -96.85 107.07 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -44.61 -30.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.6 t80 -95.51 54.44 1.58 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.823 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.2 tptm -144.4 -58.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.49 -3.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.37 -43.72 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.5 m80 -106.27 13.79 28.33 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.742 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.7 m-20 -77.1 67.77 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.38 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.88 -36.52 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.71 137.1 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.84 -139.89 6.01 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.723 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -57.49 -38.81 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.42 148.55 61.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.58 156.17 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.337 3.358 . . . . 0.0 109.633 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.3 p -104.57 -105.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 61.2 m -145.32 -46.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.535 HD11 ' HHC' ' A' ' 116' ' ' HEC . 0.1 OUTLIER -83.84 -13.35 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 82' ' ' THR . 79.7 p -77.2 -75.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.3 t -41.12 -44.43 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.67 -54.13 50.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.803 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.35 79.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -13.82 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 57.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.51 -56.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.22 -102.75 2.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 21.5 t0 -142.46 46.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.68 175.5 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . 17.6 mttt -106.99 -64.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -57.4 -30.62 65.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.23 -2.02 57.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -110.97 -21.16 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 20.0 mtpp -80.7 -28.35 36.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.88 82.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.1 tp 172.37 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 103' ' ' GLY . 68.2 p -125.09 -38.95 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.64 159.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.08 -76.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -74.6 94.38 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.71 32.93 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -134.09 161.88 33.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.762 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -49.58 -23.45 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 86.1 m -112.35 134.29 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 104' ' ' CYS . 8.5 m-70 57.78 70.63 1.24 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.75 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.42 137.81 2.09 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.304 3.336 . . . . 0.0 109.62 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 0.993 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 0.73 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 1.005 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.66 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.93 ' O ' HMB2 ' A' ' 113' ' ' HEC . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' C ' ' HD3' ' A' ' 4' ' ' PRO . 63.6 m-20 -40.29 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.93 HG13 ' CHB' ' A' ' 113' ' ' HEC . 0.1 OUTLIER -108.83 75.83 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.702 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 95.9 Cg_endo -74.16 104.94 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.372 3.382 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 162.06 167.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.1 175.58 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 33.16 85.48 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 1.044 ' HB1' ' O1D' ' A' ' 113' ' ' HEC . . . -74.48 76.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 0.718 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.672 ' HG3' HG21 ' A' ' 21' ' ' THR . 2.8 tmtt? -58.18 114.32 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -93.39 106.48 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.98 71.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -86.8 -10.15 54.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.575 HD11 ' O1A' ' A' ' 116' ' ' HEC . 0.7 OUTLIER -79.78 117.49 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.63 61.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.77 5.95 27.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.74 -113.4 0.23 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 17.3 tt0 -89.58 161.46 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' GLU . 20.9 tttm 87.65 -12.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -87.36 -160.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -145.09 134.74 23.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.672 HG21 ' HG3' ' A' ' 9' ' ' LYS . 1.1 m -97.47 155.21 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.91 125.2 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.55 131.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.7 t80 -111.51 149.51 31.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.29 122.25 14.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.916 ' NE2' HG11 ' A' ' 3' ' ' VAL . 26.9 m80 -69.33 -8.12 43.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 28' ' ' THR . 75.2 p -93.51 27.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 2.7 p -152.42 29.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 28' ' ' THR . 56.7 m80 -164.98 33.1 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.743 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -83.34 -26.54 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 5.64 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.2 t -105.65 134.54 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -40.07 114.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.5 t -51.72 -25.19 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -101.7 34.86 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.6 t0 -105.47 -30.78 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.7 m -105.7 -33.81 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -102.7 98.6 8.6 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.78 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -111.24 29.61 7.65 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.168 0.917 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.58 165.35 15.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.9 Cg_endo -76.88 152.34 32.12 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.3 3.334 . . . . 0.0 109.566 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.74 -30.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.2 t70 -72.36 66.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.632 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER 89.48 52.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -50.95 -23.24 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 24.78 12.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' CB ' ' A' ' 44' ' ' LYS . . . -60.54 148.09 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.807 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -42.22 142.48 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HA ' ' CHC' ' A' ' 114' ' ' HEC . 8.6 m -73.49 -44.22 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' THR . 72.3 p -64.04 -68.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.9 OUTLIER 32.73 -139.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 6.0 m-20 -119.83 142.64 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.72 37.14 67.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 50' ' ' THR . 30.9 m -134.27 -124.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.675 ' ND1' HG11 ' A' ' 71' ' ' VAL . 60.0 m-70 -104.69 58.02 0.7 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.764 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 10.7 p-10 -85.04 -47.76 9.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.97 115.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.7 mt -105.19 42.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -133.41 145.04 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.16 -29.7 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -18.51 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.71 135.43 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -100.36 123.38 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 159.93 163.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.5 t -91.82 33.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -119.38 9.03 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -97.72 116.93 30.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 71' ' ' VAL . 36.0 t-105 -53.19 -37.03 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.9 t80 -83.84 13.31 4.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.845 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.1 10.14 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.675 HG11 ' ND1' ' A' ' 55' ' ' HIS . 10.9 m -126.69 14.31 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.735 HG13 ' SG ' ' A' ' 83' ' ' CYS . 98.1 t -130.82 -57.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.3 m80 -80.51 1.98 27.22 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.744 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.742 ' HB3' HG21 ' A' ' 82' ' ' THR . 7.2 t0 -69.77 60.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -42.61 -28.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -66.29 -51.03 61.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 74.5 164.7 11.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -137.46 -135.95 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.62 -21.66 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' HMA2 ' A' ' 114' ' ' HEC . 3.3 ttmt -141.81 139.66 18.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 28.8 Cg_endo -60.83 155.31 49.99 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.355 3.37 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.742 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -102.6 -101.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.735 ' SG ' HG13 ' A' ' 72' ' ' VAL . 59.5 m -140.57 -47.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -77.91 -32.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.605 ' HG ' ' H ' ' A' ' 82' ' ' THR . 45.8 p -55.56 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.1 t -39.14 -55.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -48.17 -58.33 4.67 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.779 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.44 -29.43 58.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.17 9.18 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -135.6 69.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -176.39 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.22 -113.72 2.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -136.1 49.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 25.8 t0 -98.51 177.56 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -99.51 -60.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 100' ' ' LYS . 6.7 mm-40 -56.57 -27.94 59.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.81 6.67 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -109.3 -24.96 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 31.76 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 39.5 tttt -133.63 -58.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.0 p -152.33 21.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.34 151.27 26.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.789 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 76.5 m -95.75 -65.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.643 ' HG2' ' OXT' ' A' ' 112' ' ' SER . 0.0 OUTLIER -105.51 92.1 4.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 119.38 36.56 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' N ' ' A' ' 109' ' ' CYS . 0.1 OUTLIER -133.28 161.83 33.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.793 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -40.86 -29.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 33.4 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.611 ' HB3' HD22 ' A' ' 20' ' ' LEU . 2.2 m-70 56.25 88.56 0.12 Allowed Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.769 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -92.83 144.06 2.34 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.325 3.35 . . . . 0.0 109.601 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.643 ' OXT' ' HG2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HEC . . . . . 1.044 ' O1D' ' HB1' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HEC . . . . . 1.03 ' CGD' HMD1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HEC . . . . . 0.997 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HEC . . . . . 0.789 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 122.066 0.936 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.829 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 11.2 Cg_endo -55.46 109.7 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' C ' ' CG ' ' A' ' 6' ' ' ASP . . . -42.44 -84.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -169.56 -177.35 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.87 26.33 22.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.75 102.85 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -79.26 110.87 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.32 107.36 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.63 ' HB2' HG23 ' A' ' 21' ' ' THR . 41.8 t0 -150.91 69.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.0 5.25 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.8 158.04 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -130.87 130.33 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 109' ' ' CYS . 3.8 t -112.72 127.66 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 9' ' ' LYS . 39.5 t -92.59 128.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -112.71 147.41 36.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.07 125.47 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.829 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 32.1 m80 -73.4 -9.06 58.3 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.746 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 p -92.92 26.21 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.5 p -147.26 25.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 28' ' ' THR . 68.5 m80 -163.75 32.03 0.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -79.79 -27.36 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.21 6.94 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -106.32 140.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -43.59 112.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -51.08 -23.55 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -105.63 36.27 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.4 t0 -103.21 -30.39 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -106.03 -35.96 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -95.79 80.7 3.39 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.746 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -89.3 33.97 0.81 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.216 0.947 . . . . 0.0 109.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 44' ' ' LYS . 1.2 mp0 -97.92 170.37 7.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.436 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 56.8 Cg_endo -81.24 -57.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.32 3.347 . . . . 0.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.49 -60.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.27 -21.03 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 40' ' ' GLN . 9.2 mtmp? -108.97 -15.32 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -47.11 -37.5 9.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -103.88 20.63 17.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.819 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 136.13 46.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -44.23 164.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.06 -48.8 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' THR . 71.6 p -55.78 -69.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER 34.77 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -116.19 141.68 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.67 46.62 74.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 25.1 m -144.29 -124.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.419 ' C ' ' HA ' ' A' ' 50' ' ' THR . 54.8 m-70 -104.16 59.0 0.72 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.731 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 16.4 p-10 -89.3 -44.59 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.6 114.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -104.98 42.03 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.92 151.3 39.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -102.4 -36.71 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.79 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.46 135.16 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 64' ' ' SER . 2.4 ttmt -88.23 -155.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 1.2 p 81.75 157.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.5 p -91.69 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 17.8 m120 -116.52 9.36 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.38 22.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -46.12 -36.22 5.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 108.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.768 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.2 t80 -92.2 53.4 2.13 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.808 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' SER . 13.7 tttt -144.49 -58.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.35 -2.11 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 t -95.37 -41.44 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.5 m80 -106.15 16.41 24.98 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.756 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.772 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.4 t0 -71.34 60.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.01 -29.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -66.34 -45.74 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 87.01 150.4 17.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.58 -146.0 6.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.5 -27.65 39.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -135.87 146.3 56.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -56.69 155.27 27.43 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' HB3' ' A' ' 74' ' ' ASP . 6.5 p -108.01 -107.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.6 m -135.99 -48.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -79.0 -31.82 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 82' ' ' THR . 31.9 p -55.87 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.8 t -37.79 -56.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CE1' HD12 ' A' ' 101' ' ' LEU . 6.3 m-70 -47.95 -57.8 5.25 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.756 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -30.79 60.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 7.08 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 mmtt -136.54 70.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' LYS . . . 179.67 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 104.86 -150.74 17.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.51 24.1 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.767 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -97.73 85.85 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.1 mtpp -39.16 -30.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 94' ' ' ASP . 8.0 tp10 -53.86 -54.62 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -91.7 1.12 57.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -32.59 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 95' ' ' LYS . 6.4 mtpt -65.27 -49.24 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -93.1 85.74 5.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 156.15 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' GLY . 25.5 p -140.41 -45.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.09 158.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 110' ' ' HIS . 13.4 m -95.57 -73.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -81.32 99.65 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 34.71 2.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.4 t -127.01 162.38 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.04 49.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.656 ' O ' HG22 ' A' ' 22' ' ' VAL . 89.4 m -153.02 -49.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 104' ' ' CYS . 45.1 m-70 -129.65 79.78 72.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.746 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.17 138.02 8.68 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.435 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 122.067 0.937 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.693 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 87.4 Cg_exo -43.08 135.36 5.57 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.45 -160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.05 163.42 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.03 24.3 32.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.92 159.35 16.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.19 133.33 47.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -98.33 116.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -154.61 89.09 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -103.89 -49.23 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 58' ' ' LEU . 4.1 mt -59.03 153.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -100.21 140.87 33.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.07 127.14 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -92.14 127.3 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 t80 -114.35 149.55 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.83 121.56 16.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 16.2 m80 -70.62 -8.36 51.15 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.748 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 p -87.94 -10.36 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.0 p -109.03 24.23 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 28' ' ' THR . 66.2 m80 -162.32 35.06 0.11 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.763 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -27.43 24.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -82.63 6.05 19.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG23 ' OD1' ' A' ' 31' ' ' ASP . 45.7 t -106.47 136.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -39.87 132.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.16 -5.7 37.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.24 12.99 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -83.51 -29.97 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.6 m -108.33 -40.51 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -93.34 94.37 8.7 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.773 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -104.6 30.46 5.39 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.146 0.904 . . . . 0.0 109.752 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.2 mp0 -92.32 139.54 24.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.44 156.05 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.379 3.386 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.2 -162.41 53.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -87.42 12.25 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.6 mmmt -94.94 15.11 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 12.8 tt0 -52.75 -21.49 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.2 21.2 16.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.827 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -80.16 144.07 33.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.57 153.51 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 m -87.41 -39.01 15.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 55' ' ' HIS . 59.2 p -84.58 43.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.3 m -92.99 156.73 16.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.8 t70 -38.6 131.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.39 49.25 80.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -149.75 -133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 50' ' ' THR . 33.3 m-70 -100.77 63.05 1.03 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.738 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 15.9 t-20 -94.05 -39.63 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.16 115.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 13' ' ' ILE . 21.8 mt -106.01 42.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.9 t0 -148.18 129.34 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -77.19 -15.76 59.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.502 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -57.58 -18.04 17.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.5 116.34 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -64.59 -138.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t 68.05 163.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.7 t -92.06 35.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.35 7.27 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.95 109.64 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -47.29 -37.31 10.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.65 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 75.0 t80 -90.68 55.42 2.97 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.859 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 5.8 tptm -143.68 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.45 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.27 -3.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -95.12 -38.2 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.6 m80 -111.39 16.56 20.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.759 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.75 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.3 m-20 -80.72 72.23 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -59.06 -25.06 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -60.51 -46.71 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.79 136.05 3.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.68 -143.82 8.04 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.62 -17.54 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.488 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -145.55 147.02 31.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 15.4 Cg_endo -55.1 156.47 16.05 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.75 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.0 p -108.74 -104.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.5 m -142.4 -46.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.588 HG21 ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -81.38 -24.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -65.05 -77.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.8 t -40.46 -51.37 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 108.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.73 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.9 m-70 -52.65 -56.9 12.16 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.72 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -27.94 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.81 6.99 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -136.61 69.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.22 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.38 -156.62 24.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.13 -18.6 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 96' ' ' GLU . 5.8 m-20 -61.09 82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.3 pttp -47.94 -23.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 94' ' ' ASP . 68.6 mt-10 -56.85 -34.9 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.49 7.57 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -32.3 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -59.58 -35.4 74.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.54 86.85 2.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.74 -25.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 103' ' ' GLY . 34.0 p -136.98 -45.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.07 162.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -105.68 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -75.58 93.19 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.63 30.66 2.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.42 157.62 42.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -43.41 -27.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 107' ' ' SER . 68.9 m -111.06 139.75 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.424 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 11.0 m-70 55.89 66.83 3.3 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.76 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 67.8 Cg_endo -87.65 139.35 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.372 3.382 . . . . 0.0 109.632 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 122.124 0.964 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.916 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 19.1 Cg_endo -58.86 127.71 25.36 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.328 3.352 . . . . 0.0 109.593 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' PRO . . . -57.19 -162.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.01 169.86 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.25 23.27 35.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.68 113.53 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.642 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -85.93 124.06 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.45 114.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 57.5 t0 -155.52 71.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -81.42 -12.2 59.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' HA ' HD13 ' A' ' 58' ' ' LEU . 2.2 mt -86.94 144.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.642 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.24 134.06 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.94 128.57 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 t -88.6 130.51 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -119.57 148.81 42.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.58 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.21 126.62 18.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.916 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 20.9 m80 -73.76 -12.65 60.77 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.771 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.9 p -91.11 29.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 6.2 p -151.2 28.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 57.3 m80 -164.42 32.75 0.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.782 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -85.64 -29.82 23.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.84 5.72 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.7 t -88.01 -69.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.5 OUTLIER 161.4 142.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.81 38.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 2.1 p-10 -171.77 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.513 ' OD2' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -114.91 -30.04 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 m -109.31 -20.67 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.01 81.84 1.6 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.776 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -96.65 34.26 1.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.119 0.887 . . . . 0.0 109.79 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.44 167.22 11.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' GLN . 33.8 Cg_exo -57.99 165.19 7.12 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 0.0 109.568 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -2.52 67.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.55 -6.42 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -137.1 15.51 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' PRO . 4.5 tt0 -51.38 -23.0 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -113.16 26.31 10.58 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.804 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.21 154.79 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -36.31 153.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.52 -38.44 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 55' ' ' HIS . 22.2 p -107.32 38.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.98 169.11 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.431 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.65 145.19 15.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.95 34.66 72.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.6 m -139.11 -135.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.823 ' O ' HG22 ' A' ' 50' ' ' THR . 23.3 m-70 -102.34 75.47 1.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.795 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.1 t-20 -101.99 -47.67 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -38.31 116.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 13' ' ' ILE . 40.4 mt -105.86 42.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 33.2 t0 -133.68 156.8 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -103.6 -26.51 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.75 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -109.53 127.75 54.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.5 tttt -87.84 -150.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 84.83 166.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' VAL . 40.3 t -92.07 34.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -124.72 14.84 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -106.07 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -43.81 -30.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.025 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.725 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 77.3 t80 -96.08 50.52 1.18 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.793 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -140.35 -58.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.453 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.26 -2.32 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.23 -40.28 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.725 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.8 m80 -109.6 15.17 23.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.786 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.762 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.9 m-20 -77.51 67.54 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -52.78 -27.43 17.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -58.34 -54.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.11 130.94 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.23 -140.97 8.78 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.56 -28.8 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -136.51 146.31 55.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 14.6 Cg_endo -55.14 155.58 18.87 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.325 3.35 . . . . 0.0 109.614 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.762 HG21 ' HB2' ' A' ' 74' ' ' ASP . 7.4 p -105.94 -108.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.4 m -136.8 -46.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -80.03 -30.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.474 ' HG ' ' H ' ' A' ' 82' ' ' THR . 43.4 p -58.09 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.7 t -37.66 -54.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.726 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -50.41 -59.74 3.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -28.26 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.49 10.25 28.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -136.72 70.2 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.716 ' HB3' ' CE ' ' A' ' 98' ' ' LYS . . . -172.16 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.22 21.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 22.6 p-10 -74.12 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -62.75 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -47.54 -23.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 94' ' ' ASP . 28.0 tp10 -55.76 -33.54 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.1 4.14 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.716 ' CE ' ' HB3' ' A' ' 91' ' ' ALA . 16.1 mmtp -97.36 -38.79 9.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.15 -34.48 68.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.16 86.17 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.78 -25.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' GLY . 37.7 p -135.54 -46.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.05 162.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.28 -76.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -74.52 93.86 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.44 31.18 2.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.62 158.81 41.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.737 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -44.98 -26.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 107' ' ' SER . 68.1 m -112.15 140.88 46.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.422 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 14.8 m-70 55.63 65.78 4.25 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.748 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 69.3 Cg_endo -86.42 140.6 6.42 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.266 3.311 . . . . 0.0 109.644 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.999 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.091 0.948 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.999 ' HD2' HG22 ' A' ' 3' ' ' VAL . 58.6 Cg_endo -86.45 137.15 4.9 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.295 3.33 . . . . 0.0 109.636 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.07 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.29 178.31 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.63 23.42 30.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -82.02 162.75 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -140.97 120.7 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.7 mt -98.57 120.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.578 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t0 -157.59 89.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.51 1.01 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -108.88 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -136.12 128.93 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.47 128.62 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 34.2 t -89.48 129.92 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -112.76 144.27 42.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -133.49 121.56 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.65 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 17.1 m80 -72.29 -32.55 66.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.789 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -51.31 -33.33 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 p -97.57 18.32 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -149.72 34.12 0.69 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.777 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -32.34 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.41 4.77 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.8 128.66 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.88 120.65 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.26 -20.69 60.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -75.36 -14.24 60.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -76.52 -24.26 53.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 26.1 m -112.68 -40.73 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.21 87.44 3.44 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.752 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 9.3 p80 -99.96 36.43 1.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.119 0.887 . . . . 0.0 109.794 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 6.6 mm100 -102.94 105.12 43.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 59.6 Cg_endo -77.21 -27.42 6.67 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.275 3.317 . . . . 0.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -52.19 -172.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.522 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 30.0 t70 -90.36 38.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 12.7 mtmt -161.6 61.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 2.1 tt0 -51.48 -22.18 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -100.39 19.37 16.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.831 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -66.76 142.54 57.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -47.83 146.44 4.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.7 m -73.56 -44.11 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' THR . 54.5 p -64.88 -69.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER 34.24 -141.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.27 140.26 49.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' THR . 15.1 m -146.18 -128.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.457 ' C ' ' HA ' ' A' ' 50' ' ' THR . 40.1 m-70 -100.99 56.06 0.85 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.795 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.9 p-10 -85.86 -46.55 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.38 115.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.0 mt -105.5 42.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.44 165.5 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -34.97 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.88 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.02 115.09 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -138.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.6 t 69.41 159.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 65' ' ' VAL . 70.3 t -92.11 35.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 1.7 m-80 -118.44 10.35 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.24 110.25 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -46.64 -31.1 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.796 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 72.8 t80 -94.46 47.48 1.18 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.82 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -139.1 -59.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -70.62 -6.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -91.58 -41.47 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.796 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.0 m80 -108.06 15.67 24.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.737 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.0 m-20 -77.8 66.58 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.29 -28.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.7 tptt -115.72 85.59 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -122.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.04 -99.4 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.15 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -132.71 144.96 55.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 57.8 Cg_endo -66.61 163.19 33.79 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.278 3.319 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.737 HG21 ' CB ' ' A' ' 74' ' ' ASP . 9.4 p -107.63 -110.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.9 m -137.87 -45.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.82 -27.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' CYS . 66.2 p -61.99 -81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.2 t -36.4 -48.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.649 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.5 m-70 -55.82 -58.42 7.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.71 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -48.59 76.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -16.09 64.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' CYS . 63.8 mmtt -109.71 32.5 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB3' ' HD3' ' A' ' 98' ' ' LYS . . . -135.14 24.4 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.68 -134.47 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -112.16 -15.35 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.75 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.2 m-20 -64.81 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -44.46 -25.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 94' ' ' ASP . 58.5 tt0 -56.06 -35.29 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -8.73 58.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.516 ' HD3' ' HB3' ' A' ' 91' ' ' ALA . 2.4 mmmm -84.92 -32.86 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -53.38 -38.62 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -115.83 88.9 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.87 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' GLY . 47.4 p -136.5 -44.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.57 162.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -105.52 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 93.32 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.66 30.63 2.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.77 160.65 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.018 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.13 -19.76 5.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 94.1 m -113.16 118.93 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 108.269 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.0 m-70 69.71 69.71 0.39 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.73 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.446 ' O ' ' OXT' ' A' ' 112' ' ' SER . 71.7 Cg_endo -87.17 140.27 5.54 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.294 3.33 . . . . 0.0 109.56 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 9.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.723 HG12 ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 122.098 0.952 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.723 ' CD ' HG12 ' A' ' 3' ' ' VAL . 59.1 Cg_endo -85.26 137.17 5.96 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 0.0 109.584 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -177.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.18 172.44 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.45 22.2 35.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.21 82.53 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -56.25 124.48 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.45 117.44 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -155.98 82.64 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -96.86 -13.99 22.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mt -105.83 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.41 135.04 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.68 130.59 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.84 132.86 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -123.5 145.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -135.38 124.12 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' HG11 ' A' ' 3' ' ' VAL . 10.0 m80 -70.37 -12.49 61.62 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.758 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 p -84.98 -15.01 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 29.5 p -103.27 22.1 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' THR . 67.7 m80 -161.18 35.39 0.14 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.77 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.24 -29.44 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.98 6.38 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.0 t -102.7 138.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ASP . 1.2 mptt -39.77 111.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -52.97 -21.97 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -105.81 31.14 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.7 t0 -100.38 -29.53 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.2 m -106.3 -36.42 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -98.3 84.49 3.24 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.767 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -88.61 33.02 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.102 0.876 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.6 mp0 -91.72 170.6 9.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 40' ' ' GLN . 61.1 Cg_endo -85.53 -57.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.299 3.333 . . . . 0.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.7 -63.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.96 -19.7 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 36.7 mttp -107.94 -15.19 14.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 29.8 tt0 -46.05 -36.25 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -108.04 23.49 14.4 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.793 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -94.28 154.46 17.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.51 152.49 0.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.14 -46.76 22.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' THR . 11.0 p -77.5 -51.38 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 31.94 -146.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.56 150.25 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.16 17.14 10.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ASN . 56.7 m -114.75 -99.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 50' ' ' THR . 77.6 m-70 -132.14 63.36 1.62 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -92.51 -50.86 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -37.83 116.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 42.0 mt -105.6 42.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.96 170.67 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -119.1 -40.82 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.21 3.18 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.5 -39.89 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.78 -152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 22.8 t 67.67 159.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.0 t -91.87 35.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -125.58 15.67 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 1.9 m -102.05 112.21 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 108.02 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.79 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 86.7 t80 -85.88 55.83 3.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.777 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 64' ' ' SER . 16.6 tttt -146.01 -57.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.6 -1.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.86 -38.09 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.2 m80 -108.22 17.29 22.4 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.787 ' HB3' HG21 ' A' ' 82' ' ' THR . 2.8 t0 -75.57 57.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.11 -31.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -59.19 -42.7 91.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 85.23 135.77 3.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.67 -141.72 7.41 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.38 83.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.347 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 147.77 52.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.11 150.75 30.56 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 0.0 109.592 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 74' ' ' ASP . 3.2 p -102.96 -104.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.6 m -142.23 -47.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.5 mt -77.4 -30.79 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 86' ' ' CYS . 62.9 p -59.79 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 85' ' ' SER . 44.5 t -36.15 -50.07 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.0 m-70 -55.55 -63.18 1.25 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -55.55 -25.36 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -93.84 13.48 22.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' HIS . 5.8 mmtt -142.72 73.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -178.91 -71.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.02 -157.34 15.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 2.8 p30 -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 96' ' ' GLU . 9.0 m-20 -59.98 84.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -44.1 -26.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 94' ' ' ASP . 45.6 mm-40 -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.703 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -99.26 8.52 44.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -96.95 -50.9 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -48.21 -43.47 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -100.36 81.47 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 154.72 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.429 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 6.9 p -148.74 18.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -88.73 95.93 2.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 103' ' ' GLY . 64.7 m -40.46 -55.57 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -108.33 85.82 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.78 38.57 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 36.4 p -122.92 166.17 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.1 0.22 16.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 73.0 m -106.45 -60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -115.23 89.5 21.13 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.759 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 63.2 Cg_endo -91.51 140.01 2.45 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 4' ' ' PRO . 1.9 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 122.081 0.944 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 3' ' ' VAL . 52.9 Cg_exo -45.77 132.26 13.5 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.328 . . . . 0.0 109.578 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.64 170.24 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.69 165.79 23.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 24.46 37.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.83 120.17 27.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -94.61 124.7 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mt -97.99 117.94 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.9 t0 -157.2 77.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.04 -14.06 45.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.72 111.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -125.2 134.5 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.3 127.43 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 t -89.83 132.05 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.2 t80 -117.82 148.57 41.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.26 119.61 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -69.61 -7.99 43.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.78 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' THR . 73.3 p -97.58 33.26 2.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.6 p -155.93 31.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 28' ' ' THR . 48.9 m80 -165.3 32.76 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.771 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -83.2 -34.98 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 4.14 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.1 t -83.92 -71.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER 161.1 116.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.97 -14.52 48.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -120.41 35.26 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -111.58 -27.59 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 83.1 m -106.74 -31.86 8.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -102.05 101.76 12.16 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.8 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -112.63 27.37 9.69 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.167 0.917 . . . . 0.0 109.754 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.1 mp0 -89.08 140.57 29.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -86.48 156.1 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.339 3.359 . . . . 0.0 109.614 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.33 -165.48 48.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 14.23 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.4 mmmt -104.44 22.67 14.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 3.9 tt0 -53.04 -21.51 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.62 19.1 17.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.827 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -72.51 146.16 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -45.95 151.72 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 m -86.95 -38.79 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 55' ' ' HIS . 64.6 p -85.07 42.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.2 m -92.64 156.19 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' THR . 1.0 OUTLIER -38.02 130.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.19 49.82 74.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 51' ' ' THR . 14.3 m -149.88 -134.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 50' ' ' THR . 29.5 m-70 -100.57 62.58 1.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.777 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 12.4 t-20 -95.37 -42.81 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.21 115.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 27.8 mt -106.07 42.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.31 151.56 41.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -42.55 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.16 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.68 151.0 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 13.7 mmtt -110.22 -148.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m 67.4 165.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.0 t -92.2 35.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.78 10.81 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.46 109.7 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -47.24 -33.82 5.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 71.0 t80 -92.4 49.85 1.55 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.1 tptm -139.53 -59.17 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.96 -3.97 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.89 -41.78 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 65.0 m80 -108.92 16.02 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.769 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.73 ' CB ' HG21 ' A' ' 82' ' ' THR . 2.3 m-20 -78.1 77.06 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.8 -30.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.1 tptp -124.79 106.6 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.68 -126.1 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 -96.83 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.1 -34.04 69.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -148.29 146.88 24.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.489 ' CG ' ' OD2' ' A' ' 36' ' ' ASP . 52.8 Cg_endo -61.79 165.92 13.03 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.73 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -107.45 -107.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.9 m -142.96 -47.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.333 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 mt -80.96 -19.07 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.491 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -70.63 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' LYS . 53.5 t -40.28 -47.24 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.51 -60.59 3.32 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -50.71 -43.47 57.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.33 -24.96 62.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 mtmt -107.74 55.61 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.848 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . 168.81 -43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 98' ' ' LYS . . . -36.15 94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -169.1 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -142.17 145.14 33.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -30.63 54.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.41 -44.81 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -89.77 -4.73 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CE ' ' HA2' ' A' ' 92' ' ' GLY . 5.1 tptp -92.89 -29.57 15.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' GLY . 9.5 mtpp -63.17 -50.74 69.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 3.2 tttt -92.87 87.03 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.848 HD23 ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER 157.61 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 103' ' ' GLY . 15.4 p -145.58 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -31.71 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.499 ' C ' ' O ' ' A' ' 103' ' ' GLY . 13.4 m -34.07 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 92.69 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 117.89 32.91 1.34 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 15.6 p -128.76 148.01 50.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 0.801 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.74 -29.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.4 m -108.41 136.13 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.7 m-70 60.18 63.58 2.97 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.771 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 85.2 Cg_endo -81.0 141.15 12.98 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.294 3.33 . . . . 0.0 109.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 3' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.078 0.942 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.55 ' HB2' ' CE1' ' A' ' 26' ' ' HIS . 8.4 Cg_exo -35.36 114.54 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.282 3.321 . . . . 0.0 109.622 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -169.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.68 168.8 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.76 21.21 37.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 85.76 7.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.69 121.99 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.6 mt -98.92 122.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.51 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.0 t0 -159.06 83.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -96.88 -20.68 17.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 58' ' ' LEU . 21.1 mt -98.51 155.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.27 133.75 23.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 t -116.22 129.1 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.22 133.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -124.32 140.82 52.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -127.51 126.15 41.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 6.3 m80 -73.28 -35.02 66.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.791 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -61.47 -26.29 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 25' ' ' ASN . 70.3 p -89.72 12.42 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -150.89 35.68 0.61 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.779 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -29.99 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.41 2.46 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 25.2 t -102.14 142.61 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' VAL . 13.5 mmtm -40.18 137.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -85.73 16.97 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.59 25.91 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -101.77 -28.82 12.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -107.23 -33.4 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -101.65 80.22 2.02 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.728 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -93.42 34.79 1.13 Allowed 'General case' 0 CA--C 1.539 0.545 0 O-C-N 124.161 0.913 . . . . 0.0 109.79 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 5.0 mp0 -114.12 144.84 32.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLN . 61.1 Cg_endo -78.88 149.89 23.31 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . -37.21 -30.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -53.82 -49.79 67.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 47' ' ' ALA . 1.4 mtpt -137.34 35.96 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -52.79 -61.21 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -85.06 9.24 15.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.831 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 44' ' ' LYS . . . -58.67 149.72 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -37.55 152.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.2 t -86.22 -40.93 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 55' ' ' HIS . 12.8 p -99.79 30.52 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.85 177.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -66.06 147.7 52.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.94 14.55 24.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 66' ' ' ASN . 21.6 m -115.65 -132.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 50' ' ' THR . 36.8 m-70 -104.78 67.7 0.82 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.748 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 18.1 p-10 -96.24 -43.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.65 117.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 26.0 mt -106.06 43.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.78 164.15 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -108.74 -51.28 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.02 -14.58 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.97 82.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 6.4 mmmt 76.94 -148.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 160.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.9 p -91.94 34.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 2.2 m-80 -127.77 17.23 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -98.89 110.84 23.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -48.39 -43.67 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.656 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 87.7 t80 -85.08 53.55 2.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.845 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.1 tptm -142.51 -59.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.1 m -69.42 -8.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 t -88.66 -38.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 39.6 m80 -111.95 17.83 19.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.771 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.729 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.5 m-20 -78.67 61.41 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -51.43 -29.13 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -56.29 -32.08 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.55 140.83 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.8 -137.49 4.82 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.39 88.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -125.39 147.77 58.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 10.5 Cg_endo -52.33 150.88 18.98 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.339 3.359 . . . . 0.0 109.57 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.729 HG21 ' HB2' ' A' ' 74' ' ' ASP . 4.8 p -99.21 -107.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.395 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -144.59 -47.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -80.22 -14.95 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.442 ' HG ' ' H ' ' A' ' 82' ' ' THR . 88.1 p -76.43 -77.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 52.7 t -39.65 -39.81 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.502 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 5.4 m-70 -63.77 -53.07 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.779 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -61.85 -16.98 54.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 16.22 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -142.49 73.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -179.45 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.1 -153.87 21.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 1.3 p30 -75.05 -20.43 59.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 96' ' ' GLU . 4.8 m-20 -63.07 80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 2.6 pttm -44.78 -25.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 94' ' ' ASP . 1.2 tt0 -54.76 -33.28 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -98.6 7.59 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -102.2 -33.93 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -58.54 -36.78 74.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -107.5 81.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp 171.28 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' GLY . 82.5 p -116.06 -26.56 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 107' ' ' SER . . . -43.71 170.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.8 OUTLIER -116.58 -75.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -80.51 90.65 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.33 31.49 1.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 103' ' ' GLY . 56.2 p -128.43 163.86 23.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -45.88 -25.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.9 m -117.39 145.0 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.437 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 6.9 m-70 56.31 63.33 5.86 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.765 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 88.5 Cg_endo -83.54 137.8 8.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.299 3.332 . . . . 0.0 109.602 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 30' ' ' LYS . 2.8 m . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 122.066 0.936 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.654 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 72.8 Cg_endo -75.6 135.92 18.59 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.267 3.311 . . . . 0.0 109.563 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.98 171.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 172.23 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.36 33.16 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 112.45 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.558 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.08 115.23 26.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -97.43 111.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.607 ' HB2' HG23 ' A' ' 21' ' ' THR . 26.6 t0 -150.41 87.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -98.93 -5.79 30.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.6 mt -105.59 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' ND1' ' A' ' 110' ' ' HIS . 1.3 pt? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 11' ' ' ASP . 6.9 m -127.71 139.54 52.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 t -109.53 128.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.03 131.26 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.5 t80 -112.7 150.97 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -139.35 122.05 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.654 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 25.1 m80 -79.04 -1.28 34.91 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.767 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 p -78.79 -30.12 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -102.48 23.67 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -147.87 32.16 0.85 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.735 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.639 ' HE2' HG21 ' A' ' 3' ' ' VAL . 9.3 mttt -89.11 -36.96 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.69 2.78 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 50.5 t -106.8 124.13 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -48.25 127.46 12.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -69.82 -8.65 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.6 OUTLIER -76.39 -29.09 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 70.3 m -113.53 -39.05 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -96.24 84.47 3.77 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -100.52 34.77 2.31 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.208 0.942 . . . . 0.0 109.789 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.618 ' OE1' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -100.48 107.61 49.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.63 156.48 21.41 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.324 3.35 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.53 -131.2 10.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -127.69 22.64 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -135.77 47.89 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -20.61 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -106.21 13.75 28.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.872 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.618 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . . . -49.2 151.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 47' ' ' ALA . . . -36.68 140.71 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.6 t -80.39 -41.13 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.852 HG22 ' O ' ' A' ' 55' ' ' HIS . 18.2 p -102.0 40.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -73.45 172.98 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.93 142.93 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.28 25.67 60.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.6 m -126.35 -133.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.852 ' O ' HG22 ' A' ' 50' ' ' THR . 28.7 m-70 -103.32 68.6 0.97 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.749 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.0 p-10 -97.14 -47.04 5.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -39.94 115.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.4 mt -105.05 43.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -131.39 177.13 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -136.85 34.57 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.32 13.49 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -18.64 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER 63.85 -145.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.2 m 61.47 161.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 47.7 t -91.86 38.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -125.32 18.98 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -106.85 106.74 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -43.35 -30.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 107.974 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.629 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.2 t80 -94.6 46.0 1.13 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.847 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -138.08 -59.81 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -68.82 -7.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.33 -43.26 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.6 m80 -108.11 18.03 21.63 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.738 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -79.54 70.66 6.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.79 -33.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 100.88 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.22 -129.71 1.51 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.76 -97.26 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.35 -35.79 63.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -151.46 146.68 19.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 33.4 Cg_endo -60.12 161.64 18.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.301 3.334 . . . . 0.0 109.582 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.738 HG21 ' CB ' ' A' ' 74' ' ' ASP . 5.0 p -104.49 -111.3 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 60.8 m -139.23 -45.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.42 -26.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.0 p -63.27 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.501 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 52.9 t -36.95 -46.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 90' ' ' LYS . 5.3 m-70 -58.75 -63.59 1.24 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.753 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -18.33 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.58 26.46 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.501 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -146.27 45.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 97' ' ' LEU . . . -160.65 36.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 27.4 -100.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.9 p-10 -153.61 43.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 22.5 t70 -93.31 176.57 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -99.05 -64.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.0 -30.13 46.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.011 ' O ' HD21 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -94.28 8.33 42.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.42 -25.29 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -88.54 -52.52 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.481 ' C ' HD13 ' A' ' 101' ' ' LEU . 20.5 tttp -42.5 -26.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.42 131.47 45.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.767 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.4 p 72.99 3.22 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 107' ' ' SER . . . -83.98 92.45 1.7 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.471 ' C ' ' O ' ' A' ' 103' ' ' GLY . 76.0 m -36.83 -59.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -114.12 97.98 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.0 40.08 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.2 p -144.75 152.88 41.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -39.68 -29.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.456 ' N ' ' C ' ' A' ' 107' ' ' SER . 44.2 m -102.6 134.33 46.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.445 ' ND1' HD12 ' A' ' 20' ' ' LEU . 2.1 m-70 52.35 85.67 0.18 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.777 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -89.81 144.18 4.38 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.283 3.322 . . . . 0.0 109.615 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 122.062 0.934 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 29.8 Cg_endo -86.04 -178.56 2.89 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.332 3.355 . . . . 0.0 109.594 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.97 162.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -169.65 172.96 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.21 38.28 92.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.65 81.16 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.15 121.24 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.63 113.86 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.541 ' HB2' HG23 ' A' ' 21' ' ' THR . 47.1 t0 -156.51 70.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -82.04 8.21 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -116.67 138.45 47.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.1 m -123.06 127.95 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 t -111.38 129.06 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -89.58 127.91 41.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 8.5 t80 -110.58 152.24 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.24 118.55 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.849 ' CD2' HG11 ' A' ' 3' ' ' VAL . 17.9 m80 -71.15 -4.21 24.19 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.759 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 20.0 p -97.76 24.27 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.0 p -147.48 27.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 28' ' ' THR . 55.4 m80 -163.17 31.99 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 27' ' ' SER . 4.3 mttm -80.94 -27.99 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 4.56 22.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.75 144.24 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 125.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' HIS . 77.9 m -66.94 -9.07 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -83.69 -14.5 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -84.44 -21.57 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 76.9 m -112.69 -38.22 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' CYS . 76.7 m-70 -116.74 84.45 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.784 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -95.13 33.58 1.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.144 0.902 . . . . 0.0 109.799 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.1 165.91 14.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.08 149.31 25.35 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.27 3.314 . . . . 0.0 109.593 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -56.67 102.07 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.2 m-20 157.88 -43.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -130.89 25.59 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 21.1 tt0 -52.45 -22.35 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -106.07 19.9 19.8 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.808 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.23 135.93 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -39.07 152.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -76.35 -46.87 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' THR . 76.1 p -59.38 -67.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.7 OUTLIER 35.09 -139.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.91 44.32 87.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' THR . 19.9 m -141.71 -127.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.426 ' C ' ' HA ' ' A' ' 50' ' ' THR . 50.6 m-70 -100.87 59.97 0.94 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.751 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.7 t-20 -88.99 -46.37 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.02 114.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.9 mt -103.72 42.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 51.9 t0 -133.21 144.61 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.54 -6.09 53.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.2 87.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 119.91 20.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 13.62 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -73.44 167.51 21.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.5 t -91.55 35.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -128.71 18.04 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 111.18 23.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -46.16 -42.84 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 80.0 t80 -86.2 52.73 2.57 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.869 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -141.21 -59.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -72.23 -3.94 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.57 -40.26 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.787 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 61.5 m80 -109.79 16.55 21.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.789 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.746 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -80.31 69.24 6.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -53.32 -45.95 69.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -43.94 -44.95 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.54 140.6 6.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.71 -140.92 7.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.32 67.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 149.69 73.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 36' ' ' ASP . 9.6 Cg_endo -49.29 153.15 4.86 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.327 3.351 . . . . 0.0 109.599 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.746 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.5 p -104.48 -102.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.6 m -145.07 -46.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -81.76 -22.34 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' A' ' 82' ' ' THR . 78.9 p -68.4 -77.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.499 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 47.0 t -39.41 -45.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.699 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.6 m-70 -58.04 -62.73 1.61 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.776 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -19.24 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.61 19.51 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.499 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -149.45 79.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.29 -54.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.44 -110.27 3.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 25.3 t70 -140.04 45.79 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 15.5 t70 -98.83 175.9 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' LYS . 28.4 mmtm -108.89 -66.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 99' ' ' LYS . 50.7 mm-40 -52.11 -32.4 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.76 -21.2 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -84.15 -30.05 26.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -84.9 -23.07 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -109.36 87.46 2.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.75 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 103' ' ' GLY . 36.8 p -137.93 -45.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.29 161.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.4 OUTLIER -104.64 -75.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -76.0 94.32 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.12 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.91 160.96 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.32 -24.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.405 ' N ' ' C ' ' A' ' 107' ' ' SER . 64.4 m -113.68 139.41 49.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 9.6 m-70 55.84 68.99 2.06 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 89.2 Cg_endo -89.63 140.93 3.75 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.341 3.36 . . . . 0.0 109.575 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 p . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 122.032 0.92 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 43.5 Cg_endo -92.36 -166.75 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.9 167.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.17 169.53 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 42.83 96.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -69.77 87.97 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 9.5 tptt -69.32 109.55 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.2 mt -97.78 114.79 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.9 t0 -158.48 70.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -89.98 -25.41 20.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -93.47 99.06 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 20' ' ' LEU . 2.7 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -138.97 152.02 47.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.59 128.48 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 37.5 t -94.03 134.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.829 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 6.0 t80 -114.61 150.24 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -142.05 118.37 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.664 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 40.1 m80 -68.5 -7.14 29.49 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.767 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' THR . 75.4 p -95.28 31.4 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' SER . 3.2 p -157.57 32.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 28' ' ' THR . 51.6 m80 -165.34 34.53 0.06 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.787 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -85.35 -35.2 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.87 3.02 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.2 t -85.11 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' N ' HG12 ' A' ' 32' ' ' VAL . 6.2 mttt 161.07 137.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.46 -47.97 58.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -91.6 38.05 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -108.44 -28.9 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 86.4 m -108.62 -34.88 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -100.81 90.41 4.21 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.755 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -94.59 30.46 2.01 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.172 0.92 . . . . 0.0 109.796 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.6 mp0 -109.37 161.93 22.08 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.8 Cg_endo -76.66 140.63 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.352 . . . . 0.0 109.63 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.86 -30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -46.97 -28.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.2 mtmt -170.47 36.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 33.5 tt0 -53.93 -21.05 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.47 23.29 14.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -83.92 145.92 28.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -44.18 153.01 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.1 m -76.61 -45.59 29.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' THR . 67.4 p -61.24 -66.74 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 33.77 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -118.63 140.87 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.78 42.03 84.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' THR . 24.0 m -139.26 -126.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.431 ' C ' ' HA ' ' A' ' 50' ' ' THR . 55.8 m-70 -101.59 59.0 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.747 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.2 t-20 -87.4 -47.27 8.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.22 116.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -105.92 42.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -133.68 145.38 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -87.92 -15.11 37.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.22 -72.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.47 114.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -90.76 80.27 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -149.97 170.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.7 p -91.05 34.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.03 10.38 10.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 m -101.63 116.11 32.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -50.94 -43.28 60.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 84.8 t80 -84.15 51.67 2.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.841 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.3 tptm -140.53 -58.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -71.39 -4.25 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.82 -40.76 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.804 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.9 m80 -109.89 16.21 22.12 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.742 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.735 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.3 m-20 -77.99 73.47 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.86 -30.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -120.62 100.84 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.08 -125.46 0.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.35 -95.22 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.66 91.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.482 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -140.76 145.86 41.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 37.4 Cg_endo -61.81 163.78 18.02 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.298 3.332 . . . . 0.0 109.566 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -106.66 -112.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.2 m -138.53 -45.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -81.16 -20.57 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.421 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.3 p -69.06 -77.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 51.8 t -40.69 -47.93 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.831 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.14 -60.71 3.11 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -55.13 -30.94 60.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.95 9.8 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 23.0 mttt -145.46 61.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.569 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . 171.32 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.61 -160.46 24.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -112.82 27.9 9.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 7.1 t70 -59.89 -16.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER 87.11 -61.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.09 -33.85 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.85 -18.03 19.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -37.18 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -103.66 84.55 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.27 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 103' ' ' GLY . 43.3 p -131.59 -43.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -33.34 149.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 110' ' ' HIS . 37.3 m -87.09 -70.13 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -89.14 91.7 8.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.47 37.78 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 p -121.43 165.56 15.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.87 -0.52 16.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.6 m -107.95 -64.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 104' ' ' CYS . 43.0 m-70 -105.56 104.3 47.55 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.75 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -91.89 144.05 2.88 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.297 3.331 . . . . 0.0 109.59 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.062 0.935 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.721 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 75.7 Cg_endo -92.31 148.71 2.99 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.286 3.324 . . . . 0.0 109.563 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.17 -163.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 25.91 22.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -76.02 80.9 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -66.29 117.44 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.99 121.02 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 21' ' ' THR . 31.3 t0 -158.77 86.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -100.53 -5.97 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.836 HG22 HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -82.65 159.82 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.7 m -153.09 131.69 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.98 130.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.79 131.82 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.609 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 6.1 t80 -116.66 149.69 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -136.76 140.08 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.721 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 17.4 m80 -95.75 -8.78 33.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.769 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -84.86 -18.88 33.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 p -105.96 23.14 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -153.88 39.97 0.49 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.774 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -32.68 10.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.03 6.85 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 3.0 t -87.97 -65.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 161.23 143.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.14 38.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -177.54 40.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -111.6 -29.08 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 m -109.78 -27.82 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -93.25 88.89 6.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.789 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 5.1 p80 -107.7 33.37 4.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.15 0.906 . . . . 0.0 109.785 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -111.56 92.24 16.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 86.2 Cg_endo -79.78 123.61 5.34 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.341 3.361 . . . . 0.0 109.561 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.82 -114.14 1.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -120.01 -0.4 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 10.0 mtmt -92.37 -0.0 57.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -43.46 -41.16 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.62 26.39 10.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.856 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -89.23 138.14 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.42 144.97 8.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 50' ' ' THR . 0.8 OUTLIER -85.73 64.28 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' CYS . 4.4 p -160.23 -38.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER -28.41 141.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' THR . 8.6 t70 -36.63 152.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 54' ' ' CYS . . . 58.82 38.88 93.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 53' ' ' GLY . 19.6 m -151.03 -132.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.631 ' CE1' HG11 ' A' ' 71' ' ' VAL . 34.7 m-70 -104.86 59.91 0.69 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.78 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 41.7 t-20 -84.7 -48.01 9.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -39.36 115.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 36.9 mt -104.9 41.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.96 138.86 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -92.18 38.66 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.24 -29.71 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.68 127.83 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -91.56 37.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -114.96 169.07 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 65' ' ' VAL . 60.6 t -91.58 36.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -122.18 13.61 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.96 111.97 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 49' ' ' CYS . 49.1 t-105 -49.89 -26.29 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.731 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.7 t80 -98.16 44.92 1.03 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.801 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -137.84 -58.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -72.47 -4.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -94.91 -39.46 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.731 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 64.4 m80 -109.15 14.16 24.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.741 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.797 ' HB2' HG21 ' A' ' 82' ' ' THR . 3.9 m-20 -74.94 62.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -47.11 -28.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.08 132.64 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.76 -140.39 6.53 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.98 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -134.3 135.82 24.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 13.4 Cg_endo -55.7 157.25 16.22 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.32 3.347 . . . . 0.0 109.597 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.797 HG21 ' HB2' ' A' ' 74' ' ' ASP . 20.9 p -106.4 -116.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.419 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.81 -43.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.26 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' ALA . 3.8 mt -82.08 -33.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' A' ' 82' ' ' THR . 23.0 p -53.78 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.7 t -39.22 -60.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.9 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.8 m-70 -44.25 -57.05 3.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.739 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -55.26 -30.34 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' CYS . 6.5 t0 -85.0 5.91 27.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.33 68.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.05 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -157.03 15.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 18.1 p-10 -77.58 -20.4 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.5 m-20 -59.43 85.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 98' ' ' LYS . 4.4 mtpp -45.08 -25.19 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 94' ' ' ASP . 19.5 tp10 -57.24 -34.91 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 4.58 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 95' ' ' LYS . 29.3 mtpt -98.62 -30.5 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 106' ' ' GLY . 23.8 mtpt -59.03 -43.24 91.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.2 tttt -102.01 79.71 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.9 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.05 -32.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.4 p -151.13 20.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -91.71 99.1 2.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.127 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.436 ' C ' ' O ' ' A' ' 103' ' ' GLY . 85.4 m -39.56 -59.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HG3' ' OXT' ' A' ' 112' ' ' SER . 5.8 ttmm -106.97 90.44 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 126.43 37.92 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 51.7 p -125.01 161.34 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.03 -7.31 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.8 m -97.01 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -107.81 101.93 42.84 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.76 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -92.64 146.7 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.476 ' OXT' ' HG3' ' A' ' 105' ' ' LYS . 71.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.648 HG21 ' CD2' ' A' ' 26' ' ' HIS . 11.4 p . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.079 0.942 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.725 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 40.8 Cg_endo -78.86 124.73 6.31 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.301 3.334 . . . . 0.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 160.38 169.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 173.52 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 42.09 99.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.72 89.12 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 23' ' ' VAL . 1.1 mptp? -70.36 109.37 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.99 109.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.59 ' HB2' HG23 ' A' ' 21' ' ' THR . 32.5 t0 -151.9 68.23 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -79.73 -18.35 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ALA . 64.8 mt -105.89 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.8 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -116.3 139.56 50.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 t -125.54 130.16 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 9' ' ' LYS . 40.2 t -92.41 131.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 9.5 t80 -115.71 152.44 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -140.84 124.58 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' HG21 ' A' ' 3' ' ' VAL . 27.6 m80 -74.55 -8.45 56.37 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.765 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.8 p -90.94 9.04 32.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 9.8 p -129.85 25.58 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 64.2 m80 -163.21 32.25 0.09 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.79 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -29.98 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.54 2.72 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.01 137.89 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -41.7 112.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.73 -23.81 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.93 34.87 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t0 -102.56 -30.59 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.4 m -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.316 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -97.22 84.79 3.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.715 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.17 33.08 2.02 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.163 0.915 . . . . 0.0 109.712 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 2.4 mp0 -107.67 138.65 20.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.77 155.28 8.79 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 0.0 109.577 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.68 -174.35 51.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -74.05 -4.35 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 3.0 mmmm -91.87 13.27 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 3.6 tt0 -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -111.81 27.72 9.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.846 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -78.18 148.78 33.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 51' ' ' THR . . . -37.6 154.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 m -91.07 -41.15 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.7 p -86.71 38.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -103.14 90.31 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 51' ' ' THR . 10.2 t0 86.43 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' CYS . . . -39.54 -25.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' GLY . 66.9 m -31.09 -87.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' THR . 89.5 m-70 -140.97 56.37 1.56 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.741 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.0 p-10 -86.02 -51.28 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -37.16 115.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 38.3 mt -106.48 38.15 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 159.75 24.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -108.96 -32.63 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.62 66.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.58 111.02 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 2.7 mmtp -63.13 -141.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 17.9 m 69.95 154.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.67 36.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 20.2 m120 -117.11 10.7 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 2.9 m -100.71 111.8 24.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -46.27 -45.51 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 107.938 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.8 t80 -83.34 55.02 3.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.7 tptm -140.36 -58.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.99 -4.47 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.56 -40.42 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 52.7 m80 -111.24 18.1 19.63 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.737 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -80.31 77.0 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.19 69.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -62.39 -25.49 67.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.23 146.65 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.65 -148.14 6.96 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.49 -34.84 62.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -131.35 149.18 72.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 9.4 Cg_endo -51.24 153.42 9.64 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.274 3.316 . . . . 0.0 109.632 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.9 p -102.98 -104.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 56.7 m -148.77 -46.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -10.65 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.408 ' HG ' ' H ' ' A' ' 82' ' ' THR . 73.0 p -83.04 -75.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.95 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.8 t -42.11 -33.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' HG ' ' A' ' 101' ' ' LEU . 5.5 m-70 -70.63 -51.93 24.74 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.736 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 102' ' ' THR . 6.0 tttt -65.45 -36.4 83.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.88 -9.8 47.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -125.74 41.01 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -129.45 20.89 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.26 -108.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.1 p-10 -153.26 42.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.32 175.62 5.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 9.9 tttt -94.65 -55.22 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -49.46 -39.95 35.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -23.67 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.72 -66.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 101' ' ' LEU . 11.3 tttt -38.69 -30.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.791 ' C ' HG23 ' A' ' 102' ' ' THR . 0.2 OUTLIER -123.7 122.48 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.5 p 74.8 7.7 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 99' ' ' LYS . . . -80.27 154.25 36.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 110' ' ' HIS . 62.9 m -98.99 -69.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -98.5 93.32 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.54 36.5 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 109' ' ' CYS . 1.3 p -130.26 157.42 42.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.63 -29.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.45 ' N ' ' C ' ' A' ' 107' ' ' SER . 3.5 m -115.7 141.43 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.8 m-70 61.49 67.73 1.31 Allowed Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.745 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.622 ' O ' ' OXT' ' A' ' 112' ' ' SER . 74.1 Cg_endo -86.69 137.32 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.607 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.622 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 8.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.051 0.929 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.769 ' HG2' ' CG ' ' A' ' 26' ' ' HIS . 20.7 Cg_endo -60.58 134.23 53.31 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 0.0 109.578 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.19 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.75 175.7 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.6 28.04 22.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 120.31 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.531 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.78 109.36 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.0 mt -92.93 110.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' HG23 ' A' ' 21' ' ' THR . 16.5 t0 -154.76 69.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -75.67 -14.21 60.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.787 HG12 HD13 ' A' ' 58' ' ' LEU . 10.1 mt -104.62 155.52 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' C ' ' OG1' ' A' ' 21' ' ' THR . 16.8 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -152.49 140.26 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.7 t -123.13 125.4 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG22 ' HD2' ' A' ' 9' ' ' LYS . 21.4 t -87.6 128.48 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -120.93 144.8 48.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -129.43 124.12 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.769 ' CG ' ' HG2' ' A' ' 4' ' ' PRO . 2.1 m80 -70.57 -38.14 74.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.74 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -51.99 -31.32 28.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -92.19 18.46 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.443 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -150.67 30.56 0.66 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.774 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -24.39 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.616 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.1 p-10 -81.93 1.78 33.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' OD1' ' A' ' 31' ' ' ASP . 29.7 t -111.44 133.33 57.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.34 116.53 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -21.39 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 16.4 p30 -72.99 -16.99 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -74.0 -28.22 61.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 9.5 m -105.83 -47.46 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 94.7 m-70 -87.57 124.7 33.77 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.765 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -39.34 -61.08 0.83 Allowed 'General case' 0 CA--C 1.539 0.534 0 O-C-N 124.12 0.888 . . . . 0.0 109.792 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 3.2 mt-30 170.86 172.6 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' CD ' ' HG2' ' A' ' 40' ' ' GLN . 32.1 Cg_exo -56.43 145.94 76.54 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.358 3.372 . . . . 0.0 109.603 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.19 -162.09 35.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.99 -25.35 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' CA ' ' HB2' ' A' ' 47' ' ' ALA . 19.5 mtmt -109.58 26.88 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' OE1' ' CD1' ' A' ' 46' ' ' TYR . 1.6 tm0? -49.12 -65.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 23.1 m-85 -84.1 8.99 13.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.775 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' CA ' ' A' ' 44' ' ' LYS . . . -49.45 156.4 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 47' ' ' ALA . . . -37.29 157.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.84 -38.2 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.943 HG22 ' O ' ' A' ' 55' ' ' HIS . 7.2 p -102.3 24.63 9.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -58.74 161.25 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.97 143.78 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.9 34.66 79.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.8 m -138.01 -136.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.943 ' O ' HG22 ' A' ' 50' ' ' THR . 23.4 m-70 -98.28 66.01 1.73 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.771 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -97.01 -49.0 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -36.78 115.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 HG12 ' A' ' 13' ' ' ILE . 41.1 mt -106.36 37.29 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.67 138.95 41.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -96.89 50.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.05 -58.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.45 117.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.6 mmtt -76.65 -19.92 57.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' LYS . 3.0 m -38.62 154.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 65' ' ' VAL . 3.0 p -89.76 41.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -136.13 22.66 3.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -98.97 119.7 38.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.829 ' O ' HG22 ' A' ' 71' ' ' VAL . 32.1 t-105 -55.82 -46.08 78.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.646 ' CD2' ' ND1' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -72.62 -0.21 12.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.819 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 7.8 tttm -106.0 3.17 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 68' ' ' TRP . 7.1 m -115.06 9.56 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' SG ' ' A' ' 83' ' ' CYS . 83.4 t -129.7 -58.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' ND1' ' CD2' ' A' ' 69' ' ' TYR . 44.5 m80 -77.94 3.33 14.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.727 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.838 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.2 t0 -71.64 58.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.34 -32.97 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 77' ' ' GLY . 1.2 pttt -57.45 -49.33 76.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 76' ' ' LYS . . . 73.98 138.19 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.58 -139.17 8.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -53.39 -32.86 51.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -128.9 144.49 52.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.09 152.71 57.17 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.294 3.329 . . . . 0.0 109.595 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.838 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -100.74 -98.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.552 ' SG ' HG13 ' A' ' 72' ' ' VAL . 56.1 m -146.81 -47.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -77.66 -32.48 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' CYS . 63.2 p -55.86 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 90' ' ' LYS . 46.3 t -41.67 -62.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 6.8 m-70 -40.36 -57.49 1.75 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.745 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -51.95 -48.59 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.34 -22.95 66.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' CYS . 9.6 mmtt -106.97 54.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.44 31.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 44.42 -105.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -164.14 39.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.29 154.91 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -23.14 56.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -58.77 -44.76 90.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.3 1.54 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -100.65 -30.1 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -68.46 -32.91 73.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 3.1 tttt -113.13 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.9 tp 172.7 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 103' ' ' GLY . 58.8 p -126.74 -42.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -38.16 160.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.54 -77.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -72.31 92.53 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.46 33.21 2.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -132.79 161.26 34.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.976 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.86 -25.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.415 ' N ' ' C ' ' A' ' 107' ' ' SER . 29.3 m -115.03 141.82 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 104' ' ' CYS . 5.0 m-70 56.09 69.07 1.98 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.762 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 112' ' ' SER . 98.8 Cg_endo -87.94 142.67 5.67 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.329 3.352 . . . . 0.0 109.577 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 122.077 0.941 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD3' HG12 ' A' ' 3' ' ' VAL . 71.8 Cg_endo -92.27 137.73 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.312 3.342 . . . . 0.0 109.572 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.81 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 171.83 13.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.32 22.27 32.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.81 74.28 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -50.7 138.74 17.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -113.14 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -158.13 71.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.68 -9.13 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mt -90.73 109.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -100.51 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 t -120.55 128.8 76.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.66 130.62 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -116.83 146.56 42.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -139.32 108.67 6.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CD2' HG11 ' A' ' 3' ' ' VAL . 21.7 m80 -53.68 -31.18 46.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.771 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -52.28 -28.5 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -99.42 19.77 14.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -156.48 39.7 0.34 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.725 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -101.97 -21.35 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.96 6.31 45.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.503 HG11 ' OD2' ' A' ' 36' ' ' ASP . 48.4 t -112.52 137.23 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -52.42 122.18 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -62.01 -16.97 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -77.97 -12.51 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.503 ' OD2' HG11 ' A' ' 32' ' ' VAL . 1.1 p-10 -77.29 -25.49 51.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 17.4 m -113.1 -39.87 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -104.33 81.92 1.87 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.76 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -89.88 32.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.084 0.865 . . . . 0.0 109.752 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.0 mp0 -95.58 168.41 10.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLN . 23.3 Cg_exo -62.74 140.46 80.59 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.359 3.373 . . . . 0.0 109.555 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.59 54.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -31.18 57.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 15.5 mmmt -115.75 -80.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 40.05 25.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 22.6 m-85 -143.52 18.79 1.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.863 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.15 145.92 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -50.61 161.23 1.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.6 m -74.03 -48.71 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 55' ' ' HIS . 77.5 p -61.59 -67.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.2 m 36.66 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -117.41 137.63 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.66 50.73 61.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 50' ' ' THR . 9.3 m -149.26 -131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 50' ' ' THR . 35.5 m-70 -95.74 60.72 2.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.755 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 33.5 t-20 -92.87 -41.32 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.82 114.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 25.5 mt -103.45 42.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 156.6 35.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -106.4 -39.03 6.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.68 -14.97 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.56 110.95 23.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -137.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t 68.37 156.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 65' ' ' VAL . 77.3 t -91.74 35.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -118.98 10.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -96.85 107.07 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -44.61 -30.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.6 t80 -95.51 54.44 1.58 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.823 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.2 tptm -144.4 -58.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.49 -3.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.37 -43.72 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.5 m80 -106.27 13.79 28.33 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.742 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.7 m-20 -77.1 67.77 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.38 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.88 -36.52 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.71 137.1 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.84 -139.89 6.01 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.81 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.42 148.55 61.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.58 156.17 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.337 3.358 . . . . 0.0 109.633 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.3 p -104.57 -105.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.2 m -145.32 -46.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -13.35 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 82' ' ' THR . 79.7 p -77.2 -75.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.3 t -41.12 -44.43 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.67 -54.13 50.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.803 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.35 79.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -13.82 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 57.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.51 -56.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.22 -102.75 2.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 21.5 t0 -142.46 46.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.68 175.5 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . 17.6 mttt -106.99 -64.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -57.4 -30.62 65.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.23 -2.02 57.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -110.97 -21.16 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 20.0 mtpp -80.7 -28.35 36.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.88 82.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.1 tp 172.37 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 103' ' ' GLY . 68.2 p -125.09 -38.95 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.64 159.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.08 -76.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -74.6 94.38 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.71 32.93 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -134.09 161.88 33.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.58 -23.45 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 86.1 m -112.35 134.29 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 108.347 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 104' ' ' CYS . 8.5 m-70 57.78 70.63 1.24 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.75 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.42 137.81 2.09 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.304 3.336 . . . . 0.0 109.62 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.916 HG11 ' NE2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 122.082 0.944 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.702 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 95.9 Cg_endo -74.16 104.94 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.372 3.382 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 162.06 167.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.1 175.58 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 33.16 85.48 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.48 76.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 0.718 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.672 ' HG3' HG21 ' A' ' 21' ' ' THR . 2.8 tmtt? -58.18 114.32 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -93.39 106.48 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.98 71.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -86.8 -10.15 54.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -79.78 117.49 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 110' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.672 HG21 ' HG3' ' A' ' 9' ' ' LYS . 1.1 m -97.47 155.21 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.91 125.2 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.55 131.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.7 t80 -111.51 149.51 31.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.29 122.25 14.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.916 ' NE2' HG11 ' A' ' 3' ' ' VAL . 26.9 m80 -69.33 -8.12 43.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 28' ' ' THR . 75.2 p -93.51 27.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 2.7 p -152.42 29.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 28' ' ' THR . 56.7 m80 -164.98 33.1 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.743 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -83.34 -26.54 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 5.64 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.2 t -105.65 134.54 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -40.07 114.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.5 t -51.72 -25.19 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -101.7 34.86 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.6 t0 -105.47 -30.78 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.7 m -105.7 -33.81 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -102.7 98.6 8.6 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.78 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -111.24 29.61 7.65 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.168 0.917 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.58 165.35 15.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.9 Cg_endo -76.88 152.34 32.12 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.3 3.334 . . . . 0.0 109.566 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.74 -30.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.2 t70 -72.36 66.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.632 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER 89.48 52.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -50.95 -23.24 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 24.78 12.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' CB ' ' A' ' 44' ' ' LYS . . . -60.54 148.09 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -42.22 142.48 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.6 m -73.49 -44.22 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' THR . 72.3 p -64.04 -68.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.9 OUTLIER 32.73 -139.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.83 142.64 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.72 37.14 67.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 50' ' ' THR . 30.9 m -134.27 -124.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.675 ' ND1' HG11 ' A' ' 71' ' ' VAL . 60.0 m-70 -104.69 58.02 0.7 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.764 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 10.7 p-10 -85.04 -47.76 9.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.97 115.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.7 mt -105.19 42.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -133.41 145.04 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.16 -29.7 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -18.51 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.71 135.43 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -100.36 123.38 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 159.93 163.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.5 t -91.82 33.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -119.38 9.03 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -97.72 116.93 30.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 71' ' ' VAL . 36.0 t-105 -53.19 -37.03 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.9 t80 -83.84 13.31 4.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.845 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.1 10.14 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.675 HG11 ' ND1' ' A' ' 55' ' ' HIS . 10.9 m -126.69 14.31 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.735 HG13 ' SG ' ' A' ' 83' ' ' CYS . 98.1 t -130.82 -57.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.3 m80 -80.51 1.98 27.22 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.744 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.742 ' HB3' HG21 ' A' ' 82' ' ' THR . 7.2 t0 -69.77 60.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -42.61 -28.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -66.29 -51.03 61.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 74.5 164.7 11.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -137.46 -135.95 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.62 -21.66 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.491 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 3.3 ttmt -141.81 139.66 18.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 28.8 Cg_endo -60.83 155.31 49.99 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.355 3.37 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.742 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -102.6 -101.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.735 ' SG ' HG13 ' A' ' 72' ' ' VAL . 59.5 m -140.57 -47.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -77.91 -32.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.605 ' HG ' ' H ' ' A' ' 82' ' ' THR . 45.8 p -55.56 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.1 t -39.14 -55.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -48.17 -58.33 4.67 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.779 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.44 -29.43 58.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.17 9.18 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -135.6 69.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -176.39 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.22 -113.72 2.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -136.1 49.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 25.8 t0 -98.51 177.56 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -99.51 -60.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 100' ' ' LYS . 6.7 mm-40 -56.57 -27.94 59.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.81 6.67 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -109.3 -24.96 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 31.76 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 39.5 tttt -133.63 -58.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.0 p -152.33 21.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.34 151.27 26.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.415 ' O ' ' O ' ' A' ' 110' ' ' HIS . 76.5 m -95.75 -65.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.643 ' HG2' ' OXT' ' A' ' 112' ' ' SER . 0.0 OUTLIER -105.51 92.1 4.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 119.38 36.56 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' N ' ' A' ' 109' ' ' CYS . 0.1 OUTLIER -133.28 161.83 33.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -40.86 -29.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.451 ' N ' ' C ' ' A' ' 107' ' ' SER . 33.4 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.611 ' HB3' HD22 ' A' ' 20' ' ' LEU . 2.2 m-70 56.25 88.56 0.12 Allowed Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.769 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -92.83 144.06 2.34 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.325 3.35 . . . . 0.0 109.601 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.643 ' OXT' ' HG2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.552 HG11 ' CZ ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.47 164.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 0.9 OUTLIER -108.38 138.84 20.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.829 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 11.2 Cg_endo -55.46 109.7 0.45 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' C ' ' CG ' ' A' ' 6' ' ' ASP . . . -42.44 -84.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CG ' ' C ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -169.56 -177.35 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.87 26.33 22.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.75 102.85 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.513 ' HD2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -79.26 110.87 14.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.2 mt -97.32 107.36 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.63 ' HB2' HG23 ' A' ' 21' ' ' THR . 41.8 t0 -150.91 69.29 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -80.0 5.25 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.445 HD13 HAA2 ' A' ' 116' ' ' HEC . 1.0 OUTLIER -106.8 158.04 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.86 61.64 5.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -56.04 118.25 10.71 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -72.6 146.95 39.56 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 1.2 tt0 38.77 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -70.15 61.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLU . 5.5 t-20 -40.46 158.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 HBA2 ' A' ' 116' ' ' HEC . 8.0 mt -108.93 118.1 35.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.63 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.6 m -130.87 130.33 43.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 109' ' ' CYS . 3.8 t -112.72 127.66 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' HD2' ' A' ' 9' ' ' LYS . 39.5 t -92.59 128.24 44.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' CE2' ' C1D' ' A' ' 113' ' ' HEC . 37.9 t80 -112.71 147.41 36.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.07 125.47 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.829 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 32.1 m80 -73.4 -9.06 58.3 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.746 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 p -92.92 26.21 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.556 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.5 p -147.26 25.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 28' ' ' THR . 68.5 m80 -163.75 32.03 0.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -79.79 -27.36 40.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.21 6.94 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -106.32 140.05 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -43.59 112.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.0 t -51.08 -23.55 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -105.63 36.27 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' LYS . 1.4 t0 -103.21 -30.39 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.4 m -106.03 -35.96 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.292 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -95.79 80.7 3.39 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.746 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -89.3 33.97 0.81 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.216 0.947 . . . . 0.0 109.801 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 44' ' ' LYS . 1.2 mp0 -97.92 170.37 7.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 56.8 Cg_endo -81.24 -57.01 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.32 3.347 . . . . 0.0 109.588 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.49 -60.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.27 -21.03 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 40' ' ' GLN . 9.2 mtmp? -108.97 -15.32 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -47.11 -37.5 9.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' CZ ' HG11 ' A' ' 1' ' ' VAL . 10.4 m-30 -103.88 20.63 17.78 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.819 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.93 136.13 46.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -44.23 164.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.8 m -76.06 -48.8 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 51' ' ' THR . 71.6 p -55.78 -69.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER 34.77 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 13.2 t70 -116.19 141.68 47.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.67 46.62 74.19 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 50' ' ' THR . 25.1 m -144.29 -124.64 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.419 ' C ' ' HA ' ' A' ' 50' ' ' THR . 54.8 m-70 -104.16 59.0 0.72 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.731 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.513 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 16.4 p-10 -89.3 -44.59 10.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.433 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.6 114.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -104.98 42.03 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.92 151.3 39.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -102.4 -36.71 8.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.79 71.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.46 135.16 39.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 64' ' ' SER . 2.4 ttmt -88.23 -155.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 1.2 p 81.75 157.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.041 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.54 HG11 HAD2 ' A' ' 114' ' ' HEC . 4.5 p -91.69 35.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 17.8 m120 -116.52 9.36 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.38 22.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -46.12 -36.22 5.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 108.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.768 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.2 t80 -92.2 53.4 2.13 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.808 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 64' ' ' SER . 13.7 tttt -144.49 -58.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.35 -2.11 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.5 t -95.37 -41.44 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.5 m80 -106.15 16.41 24.98 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.756 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.772 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.4 t0 -71.34 60.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.01 -29.86 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tttm -66.34 -45.74 79.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 87.01 150.4 17.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -125.58 -146.0 6.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.619 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.5 -27.65 39.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -135.87 146.3 56.35 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 18.3 Cg_endo -56.69 155.27 27.43 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.304 3.336 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' HB3' ' A' ' 74' ' ' ASP . 6.5 p -108.01 -107.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 62.6 m -135.99 -48.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mt -79.0 -31.82 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.466 ' HG ' ' H ' ' A' ' 82' ' ' THR . 31.9 p -55.87 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.8 t -37.79 -56.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CE1' HD12 ' A' ' 101' ' ' LEU . 6.3 m-70 -47.95 -57.8 5.25 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.756 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -30.79 60.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.69 7.08 28.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 11.0 mmtt -136.54 70.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 90' ' ' LYS . . . 179.67 -65.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 104.86 -150.74 17.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -92.51 24.1 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.767 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -97.73 85.85 3.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.1 mtpp -39.16 -30.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 94' ' ' ASP . 8.0 tp10 -53.86 -54.62 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -91.7 1.12 57.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -32.59 13.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 95' ' ' LYS . 6.4 mtpt -65.27 -49.24 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -93.1 85.74 5.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER 156.15 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 103' ' ' GLY . 25.5 p -140.41 -45.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.09 158.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.785 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 13.4 m -95.57 -73.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -81.32 99.65 8.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 111.03 34.71 2.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 1.4 t -127.01 162.38 26.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.465 ' O ' HMA3 ' A' ' 115' ' ' HEC . . . -83.04 49.65 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.656 ' O ' HG22 ' A' ' 22' ' ' VAL . 89.4 m -153.02 -49.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.179 . . . . 0.0 108.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.423 ' O ' ' O ' ' A' ' 104' ' ' CYS . 45.1 m-70 -129.65 79.78 72.95 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.746 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.17 138.02 8.68 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.928 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.783 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.011 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.785 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.757 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.476 ' O ' ' O ' ' A' ' 1' ' ' VAL . 2.8 t70 38.4 -160.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.435 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.3 OUTLIER -135.74 133.4 20.04 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.693 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 87.4 Cg_exo -43.08 135.36 5.57 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.317 3.345 . . . . 0.0 109.607 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.45 -160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.252 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.05 163.42 19.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.03 24.3 32.49 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.92 159.35 16.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.19 133.33 47.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -98.33 116.87 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -154.61 89.09 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -103.89 -49.23 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.721 ' HA ' HD13 ' A' ' 58' ' ' LEU . 4.1 mt -59.03 153.55 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -42.26 162.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.75 42.52 0.22 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.44 66.84 3.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -177.79 49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 0.732 . . . . 0.0 110.304 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.83 61.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -86.0 -155.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.81 103.91 13.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -100.21 140.87 33.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.362 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.07 127.14 75.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -92.14 127.3 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 10.0 t80 -114.35 149.55 35.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.573 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -138.83 121.56 16.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.693 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 16.2 m80 -70.62 -8.36 51.15 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.748 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.2 p -87.94 -10.36 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.537 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 18.0 p -109.03 24.23 13.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 28' ' ' THR . 66.2 m80 -162.32 35.06 0.11 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.763 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -27.43 24.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -82.63 6.05 19.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG23 ' OD1' ' A' ' 31' ' ' ASP . 45.7 t -106.47 136.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -39.87 132.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.5 t -72.16 -5.7 37.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 108.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.24 12.99 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -83.51 -29.97 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.6 m -108.33 -40.51 5.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -93.34 94.37 8.7 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.773 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -104.6 30.46 5.39 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.146 0.904 . . . . 0.0 109.752 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.55 ' OE1' ' C1C' ' A' ' 114' ' ' HEC . 1.2 mp0 -92.32 139.54 24.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -86.44 156.05 9.3 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.379 3.386 . . . . 0.0 109.567 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.2 -162.41 53.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -87.42 12.25 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.6 mmmt -94.94 15.11 19.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 12.8 tt0 -52.75 -21.49 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.232 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -104.2 21.2 16.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.827 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -80.16 144.07 33.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.709 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -45.57 153.51 0.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 4.5 m -87.41 -39.01 15.64 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 55' ' ' HIS . 59.2 p -84.58 43.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.3 m -92.99 156.73 16.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.388 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' THR . 37.8 t70 -38.6 131.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.39 49.25 80.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.5 m -149.75 -133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.715 ' O ' HG22 ' A' ' 50' ' ' THR . 33.3 m-70 -100.77 63.05 1.03 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.738 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 15.9 t-20 -94.05 -39.63 10.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -46.16 115.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.721 HD13 ' HA ' ' A' ' 13' ' ' ILE . 21.8 mt -106.01 42.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.502 ' OD2' ' HB3' ' A' ' 61' ' ' ALA . 32.9 t0 -148.18 129.34 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -77.19 -15.76 59.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.502 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -57.58 -18.04 17.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.5 116.34 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.9 OUTLIER -64.59 -138.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t 68.05 163.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.742 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.7 t -92.06 35.0 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.35 7.27 15.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.95 109.64 22.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.8 t-105 -47.29 -37.31 10.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.65 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 75.0 t80 -90.68 55.42 2.97 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.859 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' NZ ' ' HA ' ' A' ' 63' ' ' LYS . 5.8 tptm -143.68 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.45 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.27 -3.08 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.1 t -95.12 -38.2 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.6 m80 -111.39 16.56 20.77 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.759 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.75 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.3 m-20 -80.72 72.23 7.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -59.06 -25.06 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -60.51 -46.71 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.79 136.05 3.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.68 -143.82 8.04 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.914 ' HB3' ' O2A' ' A' ' 114' ' ' HEC . . . -58.62 -17.54 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.488 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -145.55 147.02 31.72 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 15.4 Cg_endo -55.1 156.47 16.05 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.322 3.348 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.75 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.0 p -108.74 -104.24 0.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.383 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.423 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.5 m -142.4 -46.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.588 HG21 ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -81.38 -24.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -65.05 -77.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.8 t -40.46 -51.37 2.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 108.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.73 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.9 m-70 -52.65 -56.9 12.16 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.72 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -27.94 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -87.81 6.99 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -136.61 69.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.22 -52.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.38 -156.62 24.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 95' ' ' LYS . 0.5 OUTLIER -75.13 -18.6 60.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.414 ' C ' ' N ' ' A' ' 96' ' ' GLU . 5.8 m-20 -61.09 82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' ASP . 1.3 pttp -47.94 -23.44 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 94' ' ' ASP . 68.6 mt-10 -56.85 -34.9 68.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.49 7.57 45.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.14 -32.3 10.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -59.58 -35.4 74.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.574 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -112.54 86.85 2.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.74 -25.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 103' ' ' GLY . 34.0 p -136.98 -45.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.07 162.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.491 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.2 OUTLIER -105.68 -75.68 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -75.58 93.19 3.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.63 30.66 2.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.42 157.62 42.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.808 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -43.41 -27.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 68.9 m -111.06 139.75 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.266 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.424 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 11.0 m-70 55.89 66.83 3.3 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.76 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 67.8 Cg_endo -87.65 139.35 4.79 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.372 3.382 . . . . 0.0 109.632 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 1.9 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.897 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.914 ' O2A' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.008 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.687 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' O ' ' O ' ' A' ' 1' ' ' VAL . 1.8 t70 35.55 -156.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.553 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -143.9 138.42 15.1 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.916 ' HG2' ' CE1' ' A' ' 26' ' ' HIS . 19.1 Cg_endo -58.86 127.71 25.36 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.328 3.352 . . . . 0.0 109.593 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' PRO . . . -57.19 -162.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.01 169.86 8.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.25 23.27 35.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.68 113.53 24.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.642 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -85.93 124.06 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.45 114.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.568 ' HB2' HG23 ' A' ' 21' ' ' THR . 57.5 t0 -155.52 71.78 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -81.42 -12.2 59.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 ' HA ' HD13 ' A' ' 58' ' ' LEU . 2.2 mt -86.94 144.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.31 61.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.03 160.88 50.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.06 -151.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -52.18 -20.85 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 60.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -65.08 93.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.649 HD12 HBA2 ' A' ' 116' ' ' HEC . 59.2 mt -91.12 100.59 13.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.642 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -112.24 134.06 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 t -115.94 128.57 73.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.8 t -88.6 130.51 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' CE2' ' C1D' ' A' ' 113' ' ' HEC . 15.2 t80 -119.57 148.81 42.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.58 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.21 126.62 18.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.916 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 20.9 m80 -73.76 -12.65 60.77 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.771 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.9 p -91.11 29.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 6.2 p -151.2 28.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 57.3 m80 -164.42 32.75 0.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.782 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -85.64 -29.82 23.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.84 5.72 20.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 2.7 t -88.01 -69.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.5 OUTLIER 161.4 142.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.81 38.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 108.333 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 35' ' ' ASP . 2.1 p-10 -171.77 37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.513 ' OD2' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -114.91 -30.04 6.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.3 m -109.31 -20.67 12.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -107.01 81.84 1.6 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.776 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -96.65 34.26 1.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.119 0.887 . . . . 0.0 109.79 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.44 167.22 11.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.247 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 45' ' ' GLN . 33.8 Cg_exo -57.99 165.19 7.12 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.314 3.343 . . . . 0.0 109.568 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.25 -2.52 67.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.435 1.085 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.55 -6.42 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -137.1 15.51 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 41' ' ' PRO . 4.5 tt0 -51.38 -23.0 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -113.16 26.31 10.58 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.804 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.21 154.79 28.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -36.31 153.68 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 t -93.52 -38.44 11.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.823 HG22 ' O ' ' A' ' 55' ' ' HIS . 22.2 p -107.32 38.41 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.98 169.11 18.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.431 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -53.65 145.19 15.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 57.95 34.66 72.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 12.6 m -139.11 -135.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.823 ' O ' HG22 ' A' ' 50' ' ' THR . 23.3 m-70 -102.34 75.47 1.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.795 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.1 t-20 -101.99 -47.67 4.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -38.31 116.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 13' ' ' ILE . 40.4 mt -105.86 42.32 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 33.2 t0 -133.68 156.8 47.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -103.6 -26.51 12.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.75 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -109.53 127.75 54.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' SER . 1.5 tttt -87.84 -150.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 84.83 166.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.55 ' O ' HG12 ' A' ' 65' ' ' VAL . 40.3 t -92.07 34.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -124.72 14.84 8.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -106.07 106.91 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -43.81 -30.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.025 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.725 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 77.3 t80 -96.08 50.52 1.18 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.793 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -140.35 -58.84 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.279 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.453 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.26 -2.32 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.1 t -96.23 -40.28 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.725 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 63.8 m80 -109.6 15.17 23.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.786 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.762 ' HB2' HG21 ' A' ' 82' ' ' THR . 1.9 m-20 -77.51 67.54 3.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -52.78 -27.43 17.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -58.34 -54.39 47.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.11 130.94 4.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.23 -140.97 8.78 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.652 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -55.56 -28.8 57.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -136.51 146.31 55.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 14.6 Cg_endo -55.14 155.58 18.87 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.325 3.35 . . . . 0.0 109.614 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.762 HG21 ' HB2' ' A' ' 74' ' ' ASP . 7.4 p -105.94 -108.94 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.453 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 61.4 m -136.8 -46.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.558 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -80.03 -30.06 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.474 ' HG ' ' H ' ' A' ' 82' ' ' THR . 43.4 p -58.09 -81.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.7 t -37.66 -54.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.726 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -50.41 -59.74 3.69 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.767 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -28.26 54.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.49 10.25 28.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -136.72 70.2 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.716 ' HB3' ' CE ' ' A' ' 98' ' ' LYS . . . -172.16 -54.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.22 21.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 22.6 p-10 -74.12 -20.77 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -62.75 80.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -47.54 -23.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 94' ' ' ASP . 28.0 tp10 -55.76 -33.54 64.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.1 4.14 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.716 ' CE ' ' HB3' ' A' ' 91' ' ' ALA . 16.1 mmtp -97.36 -38.79 9.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -57.15 -34.48 68.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -113.16 86.17 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.78 -25.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 103' ' ' GLY . 37.7 p -135.54 -46.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -40.05 162.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.609 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.0 OUTLIER -105.28 -76.05 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -74.52 93.86 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.44 31.18 2.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.62 158.81 41.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.737 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.817 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -44.98 -26.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.525 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 68.1 m -112.15 140.88 46.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 108.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.422 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 14.8 m-70 55.63 65.78 4.25 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.748 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 69.3 Cg_endo -86.42 140.6 6.42 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.266 3.311 . . . . 0.0 109.644 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.737 HMC3 ' O ' ' A' ' 33' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.844 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.024 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.649 HBA2 HD12 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.764 HG13 ' OH ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' VAL . 14.0 m-20 -40.26 161.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.999 HG22 ' HD2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -96.24 162.11 24.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.999 ' HD2' HG22 ' A' ' 3' ' ' VAL . 58.6 Cg_endo -86.45 137.15 4.9 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.295 3.33 . . . . 0.0 109.636 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.07 -172.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.29 178.31 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.63 23.42 30.99 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' A' ' 23' ' ' VAL . . . -82.02 162.75 22.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -140.97 120.7 13.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.7 mt -98.57 120.39 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.578 ' HB2' HG23 ' A' ' 21' ' ' THR . 11.7 t0 -157.59 89.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -100.51 1.01 40.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mt -108.88 104.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.82 163.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.68 129.95 1.08 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' C ' ' N ' ' A' ' 18' ' ' LYS . . . -57.94 -156.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -39.8 -29.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 16' ' ' GLY . 3.3 tttp -87.45 46.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -88.25 171.85 9.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.559 HD22 HBA2 ' A' ' 116' ' ' HEC . 0.0 OUTLIER -135.48 131.06 35.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.1 m -136.12 128.93 31.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.47 128.62 63.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' ALA . 34.2 t -89.48 129.92 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.52 ' CZ ' ' CHD' ' A' ' 113' ' ' HEC . 9.4 t80 -112.76 144.27 42.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -133.49 121.56 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.65 ' CE1' ' HG2' ' A' ' 4' ' ' PRO . 17.1 m80 -72.29 -32.55 66.7 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.789 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.8 p -51.31 -33.33 28.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.907 HG21 ' O1A' ' A' ' 115' ' ' HEC . 2.5 p -97.57 18.32 15.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.417 ' CG ' HBC2 ' A' ' 113' ' ' HEC . 40.6 m80 -149.72 34.12 0.69 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.777 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.23 -32.34 12.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.41 4.77 22.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.8 128.66 65.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.88 120.65 3.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.26 -20.69 60.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -75.36 -14.24 60.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -76.52 -24.26 53.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 26.1 m -112.68 -40.73 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.21 87.44 3.44 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.752 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 9.3 p80 -99.96 36.43 1.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.119 0.887 . . . . 0.0 109.794 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 6.6 mm100 -102.94 105.12 43.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 59.6 Cg_endo -77.21 -27.42 6.67 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.275 3.317 . . . . 0.0 109.601 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 41' ' ' PRO . . . -52.19 -172.56 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.58 1.175 . . . . 0.0 111.019 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.522 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 30.0 t70 -90.36 38.18 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 43' ' ' ASP . 12.7 mtmt -161.6 61.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 2.1 tt0 -51.48 -22.18 2.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.764 ' OH ' HG13 ' A' ' 1' ' ' VAL . 23.2 m-85 -100.39 19.37 16.82 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.831 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -66.76 142.54 57.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.719 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -47.83 146.44 4.79 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 20.7 m -73.56 -44.11 58.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 51' ' ' THR . 54.5 p -64.88 -69.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER 34.24 -141.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -115.27 140.26 49.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.85 47.93 75.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 50' ' ' THR . 15.1 m -146.18 -128.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.457 ' C ' ' HA ' ' A' ' 50' ' ' THR . 40.1 m-70 -100.99 56.06 0.85 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.795 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 9.9 p-10 -85.86 -46.55 10.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.38 115.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.0 mt -105.5 42.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.44 165.5 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 -34.97 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.03 -16.88 20.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.02 115.09 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -138.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.6 t 69.41 159.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.754 ' O ' HG12 ' A' ' 65' ' ' VAL . 70.3 t -92.11 35.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 1.7 m-80 -118.44 10.35 12.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.24 110.25 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 47.9 t-105 -46.64 -31.1 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.796 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 72.8 t80 -94.46 47.48 1.18 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.82 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -139.1 -59.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -70.62 -6.14 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -91.58 -41.47 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.796 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.0 m80 -108.06 15.67 24.07 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.752 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.737 ' CB ' HG21 ' A' ' 82' ' ' THR . 4.0 m-20 -77.8 66.58 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.29 -28.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.7 tptt -115.72 85.59 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -69.9 -122.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 169.04 -99.4 0.15 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.991 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -62.24 -41.15 98.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.509 ' CB ' HBA1 ' A' ' 114' ' ' HEC . 0.0 OUTLIER -132.71 144.96 55.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 57.8 Cg_endo -66.61 163.19 33.79 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.278 3.319 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.737 HG21 ' CB ' ' A' ' 74' ' ' ASP . 9.4 p -107.63 -110.69 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.422 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.9 m -137.87 -45.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.24 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.82 -27.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' CYS . 66.2 p -61.99 -81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' SER . 53.2 t -36.4 -48.8 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.649 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.5 m-70 -55.82 -58.42 7.94 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.71 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -48.59 76.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -16.09 64.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 86' ' ' CYS . 63.8 mmtt -109.71 32.5 5.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.516 ' HB3' ' HD3' ' A' ' 98' ' ' LYS . . . -135.14 24.4 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.68 -134.47 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -112.16 -15.35 13.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.75 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.2 m-20 -64.81 89.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -44.46 -25.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 94' ' ' ASP . 58.5 tt0 -56.06 -35.29 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.97 -8.73 58.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.516 ' HD3' ' HB3' ' A' ' 91' ' ' ALA . 2.4 mmmm -84.92 -32.86 22.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -53.38 -38.62 63.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -115.83 88.9 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.649 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.87 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.428 ' O ' ' O ' ' A' ' 103' ' ' GLY . 47.4 p -136.5 -44.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.433 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.57 162.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.512 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.1 OUTLIER -105.52 -76.13 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.9 93.32 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.66 30.63 2.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -132.77 160.65 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 110.018 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.621 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -54.13 -19.76 5.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.499 ' HB2' ' CMC' ' A' ' 116' ' ' HEC . 94.1 m -113.16 118.93 36.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 108.269 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.0 m-70 69.71 69.71 0.39 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.73 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.446 ' O ' ' OXT' ' A' ' 112' ' ' SER . 71.7 Cg_endo -87.17 140.27 5.54 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.294 3.33 . . . . 0.0 109.56 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 9.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 1.027 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.991 ' CGA' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.047 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.769 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.52 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 2.0 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' VAL . 1.4 m-20 -36.65 153.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.723 HG12 ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -111.6 175.69 1.79 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.723 ' CD ' HG12 ' A' ' 3' ' ' VAL . 59.1 Cg_endo -85.26 137.17 5.96 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.296 3.331 . . . . 0.0 109.584 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.08 -177.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.18 172.44 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.45 22.2 35.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.21 82.53 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.647 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -56.25 124.48 18.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.45 117.44 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.555 ' HB2' HG23 ' A' ' 21' ' ' THR . 6.5 t70 -155.98 82.64 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -96.86 -13.99 22.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.742 HD12 ' O1A' ' A' ' 116' ' ' HEC . 35.0 mt -105.83 127.82 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -44.73 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.16 161.58 0.3 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.75 -177.86 2.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 4.0 tt0 -38.92 -87.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 110.383 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -40.37 98.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' GLU . 22.7 t-20 -40.31 131.61 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.6 mt -106.33 92.77 4.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.647 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -115.41 135.04 54.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.68 130.59 71.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -90.84 132.86 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -123.5 145.31 48.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -135.38 124.12 23.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' HG11 ' A' ' 3' ' ' VAL . 10.0 m80 -70.37 -12.49 61.62 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.758 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 p -84.98 -15.01 45.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.512 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 29.5 p -103.27 22.1 14.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 28' ' ' THR . 67.7 m80 -161.18 35.39 0.14 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.77 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.24 -29.44 21.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.98 6.38 22.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.0 t -102.7 138.94 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ASP . 1.2 mptt -39.77 111.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 t -52.97 -21.97 5.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 108.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -105.81 31.14 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.7 t0 -100.38 -29.53 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.2 m -106.3 -36.42 6.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -98.3 84.49 3.24 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.767 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -88.61 33.02 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.102 0.876 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 1.6 mp0 -91.72 170.6 9.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 40' ' ' GLN . 61.1 Cg_endo -85.53 -57.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.299 3.333 . . . . 0.0 109.626 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.7 -63.25 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -59.96 -19.7 53.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 36.7 mttp -107.94 -15.19 14.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 29.8 tt0 -46.05 -36.25 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 6.0 m-85 -108.04 23.49 14.4 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.793 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -94.28 154.46 17.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -45.51 152.49 0.84 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.14 -46.76 22.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' THR . 11.0 p -77.5 -51.38 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.437 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 31.94 -146.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -117.56 150.25 39.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.16 17.14 10.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.436 1.085 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 66' ' ' ASN . 56.7 m -114.75 -99.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.453 ' O ' HG22 ' A' ' 50' ' ' THR . 77.6 m-70 -132.14 63.36 1.62 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -92.51 -50.86 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -37.83 116.05 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.227 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 42.0 mt -105.6 42.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.96 170.67 8.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.564 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -119.1 -40.82 2.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.21 3.18 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -81.5 -39.89 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.78 -152.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 22.8 t 67.67 159.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 65' ' ' VAL . 88.0 t -91.87 35.25 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 0.7 OUTLIER -125.58 15.67 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 1.9 m -102.05 112.21 24.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -48.41 -44.41 35.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 108.02 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.79 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 86.7 t80 -85.88 55.83 3.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.777 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 64' ' ' SER . 16.6 tttt -146.01 -57.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 82' ' ' THR . 1.0 OUTLIER -73.6 -1.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.86 -38.09 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 67.2 m80 -108.22 17.29 22.4 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.74 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.787 ' HB3' HG21 ' A' ' 82' ' ' THR . 2.8 t0 -75.57 57.58 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.11 -31.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -59.19 -42.7 91.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 85.23 135.77 3.55 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.67 -141.72 7.41 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -57.76 -42.38 83.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 147.77 52.63 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -54.11 150.75 30.56 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.309 3.339 . . . . 0.0 109.592 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 74' ' ' ASP . 3.2 p -102.96 -104.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.47 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.6 m -142.23 -47.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.452 HD11 ' CHC' ' A' ' 116' ' ' HEC . 4.5 mt -77.4 -30.79 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 86' ' ' CYS . 62.9 p -59.79 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 85' ' ' SER . 44.5 t -36.15 -50.07 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 108.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.0 m-70 -55.55 -63.18 1.25 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.742 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 89' ' ' ASP . 0.0 OUTLIER -55.55 -25.36 37.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -93.84 13.48 22.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 87' ' ' HIS . 5.8 mmtt -142.72 73.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.703 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -178.91 -71.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.02 -157.34 15.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 2.8 p30 -77.8 -16.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' C ' ' N ' ' A' ' 96' ' ' GLU . 9.0 m-20 -59.98 84.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -44.1 -26.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 94' ' ' ASP . 45.6 mm-40 -54.72 -32.84 60.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.703 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -99.26 8.52 44.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -96.95 -50.9 4.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -48.21 -43.47 32.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.0 OUTLIER -100.36 81.47 2.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 154.72 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.303 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.429 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 6.9 p -148.74 18.76 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -88.73 95.93 2.15 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.907 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 64.7 m -40.46 -55.57 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -108.33 85.82 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.78 38.57 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 36.4 p -122.92 166.17 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.1 0.22 16.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 111' ' ' PRO . 73.0 m -106.45 -60.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -115.23 89.5 21.13 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.759 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 109' ' ' CYS . 63.2 Cg_endo -91.51 140.01 2.45 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.317 3.345 . . . . 0.0 109.604 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.852 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.852 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.021 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.907 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.72 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' VAL . 1.3 t70 39.15 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.58 HG22 ' HD2' ' A' ' 4' ' ' PRO . 1.9 p -158.08 138.43 9.02 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.58 ' HD2' HG22 ' A' ' 3' ' ' VAL . 52.9 Cg_exo -45.77 132.26 13.5 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.328 . . . . 0.0 109.578 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.64 170.24 5.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.69 165.79 23.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.01 24.46 37.59 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.83 120.17 27.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.569 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -94.61 124.7 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.2 mt -97.99 117.94 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.52 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.9 t0 -157.2 77.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.04 -14.06 45.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -72.72 111.86 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.99 62.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 13' ' ' ILE . . . -106.96 125.17 7.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.55 -163.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -45.88 171.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.282 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.88 16.08 8.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.77 ' O ' HD23 ' A' ' 20' ' ' LEU . 15.1 p-10 -85.1 -173.65 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.77 HD23 ' O ' ' A' ' 19' ' ' ASN . 0.5 OUTLIER -142.06 147.66 37.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.569 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -125.2 134.5 52.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 t -106.3 127.43 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 t -89.83 132.05 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 6.2 t80 -117.82 148.57 41.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.26 119.61 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -69.61 -7.99 43.56 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.78 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' THR . 73.3 p -97.58 33.26 2.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 4.6 p -155.93 31.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 28' ' ' THR . 48.9 m80 -165.3 32.76 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.771 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -83.2 -34.98 25.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.37 4.14 21.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.1 t -83.92 -71.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.757 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.2 OUTLIER 161.1 116.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.97 -14.52 48.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -120.41 35.26 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.489 ' OD2' ' CG ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -111.58 -27.59 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 83.1 m -106.74 -31.86 8.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 108.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -102.05 101.76 12.16 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.8 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -112.63 27.37 9.69 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.167 0.917 . . . . 0.0 109.754 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.1 mp0 -89.08 140.57 29.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -86.48 156.1 9.25 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.339 3.359 . . . . 0.0 109.614 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.33 -165.48 48.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 14.23 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.4 mmmt -104.44 22.67 14.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 3.9 tt0 -53.04 -21.51 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' HB3' HMA3 ' A' ' 113' ' ' HEC . 0.3 OUTLIER -100.62 19.1 17.6 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.041 -0.982 . . . . 0.0 109.827 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -72.51 146.16 47.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.766 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -45.95 151.72 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 4.3 m -86.95 -38.79 16.33 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.926 HG22 ' O ' ' A' ' 55' ' ' HIS . 64.6 p -85.07 42.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.2 m -92.64 156.19 17.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' THR . 1.0 OUTLIER -38.02 130.87 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.19 49.82 74.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 51' ' ' THR . 14.3 m -149.88 -134.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.926 ' O ' HG22 ' A' ' 50' ' ' THR . 29.5 m-70 -100.57 62.58 1.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.777 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 12.4 t-20 -95.37 -42.81 8.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -42.21 115.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 27.8 mt -106.07 42.26 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.31 151.56 41.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -42.55 7.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.25 -17.16 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.68 151.0 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 13.7 mmtt -110.22 -148.16 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m 67.4 165.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 73.0 t -92.2 35.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.78 10.81 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.46 109.7 21.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -47.24 -33.82 5.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 71.0 t80 -92.4 49.85 1.55 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.814 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.1 tptm -139.53 -59.17 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.442 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.96 -3.97 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -94.89 -41.78 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 65.0 m80 -108.92 16.02 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.769 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.73 ' CB ' HG21 ' A' ' 82' ' ' THR . 2.3 m-20 -78.1 77.06 4.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.8 -30.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 74' ' ' ASP . 14.1 tptp -124.79 106.6 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.68 -126.1 1.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.87 -96.83 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.054 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -58.1 -34.04 69.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -148.29 146.88 24.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.489 ' CG ' ' OD2' ' A' ' 36' ' ' ASP . 52.8 Cg_endo -61.79 165.92 13.03 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.324 3.349 . . . . 0.0 109.615 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.73 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -107.45 -107.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.436 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.9 m -142.96 -47.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.602 HD11 ' HHC' ' A' ' 116' ' ' HEC . 1.6 mt -80.96 -19.07 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.491 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.8 p -70.63 -77.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' LYS . 53.5 t -40.28 -47.24 2.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 108.273 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.51 -60.59 3.32 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.748 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.5 OUTLIER -50.71 -43.47 57.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.33 -24.96 62.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 mtmt -107.74 55.61 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.848 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . 168.81 -43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 98' ' ' LYS . . . -36.15 94.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -169.1 -46.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' N ' ' CG ' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -142.17 145.14 33.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -30.63 54.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -59.41 -44.81 92.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.558 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -89.77 -4.73 57.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CE ' ' HA2' ' A' ' 92' ' ' GLY . 5.1 tptp -92.89 -29.57 15.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 106' ' ' GLY . 9.5 mtpp -63.17 -50.74 69.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.747 ' O ' HD22 ' A' ' 101' ' ' LEU . 3.2 tttt -92.87 87.03 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.848 HD23 ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER 157.61 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 103' ' ' GLY . 15.4 p -145.58 -51.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.499 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -31.71 95.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.85 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 13.4 m -34.07 -73.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.98 92.69 4.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 117.89 32.91 1.34 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 15.6 p -128.76 148.01 50.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 0.801 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.951 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -39.74 -29.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.476 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.4 m -108.41 136.13 48.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.408 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 1.7 m-70 60.18 63.58 2.97 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.008 -0.997 . . . . 0.0 109.771 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 85.2 Cg_endo -81.0 141.15 12.98 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.294 3.33 . . . . 0.0 109.608 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.934 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 1.054 ' CGA' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.025 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.85 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 72.6 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.726 ' O ' HG23 ' A' ' 3' ' ' VAL . 0.4 OUTLIER -125.03 -58.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 2' ' ' ASP . 0.9 OUTLIER 161.89 97.41 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.835 ' HG2' ' C4A' ' A' ' 113' ' ' HEC . 8.4 Cg_exo -35.36 114.54 0.1 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.282 3.321 . . . . 0.0 109.622 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.99 -169.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.68 168.8 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.76 21.21 37.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.73 85.76 7.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 0.765 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.629 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.69 121.99 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.6 mt -98.92 122.8 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.51 ' HB2' HG23 ' A' ' 21' ' ' THR . 38.0 t0 -159.06 83.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -96.88 -20.68 17.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 58' ' ' LEU . 21.1 mt -98.51 155.52 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 60.08 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' HA2' ' CGA' ' A' ' 116' ' ' HEC . . . -38.12 140.12 0.51 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -67.57 -82.26 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.57 96.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER 47.0 -142.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -96.63 128.7 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD12 ' CBA' ' A' ' 116' ' ' HEC . 14.8 mt -101.56 123.17 45.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.629 HG22 ' HB2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -144.27 133.75 23.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.4 t -116.22 129.1 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.22 133.2 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CZ ' ' CHD' ' A' ' 113' ' ' HEC . 29.3 t80 -124.32 140.82 52.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.574 ' HB2' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -127.51 126.15 41.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 6.3 m80 -73.28 -35.02 66.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.791 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -61.47 -26.29 67.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 25' ' ' ASN . 70.3 p -89.72 12.42 17.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.456 ' HB3' HBC2 ' A' ' 113' ' ' HEC . 57.3 m80 -150.89 35.68 0.61 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.779 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -29.99 17.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -80.41 2.46 24.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 25.2 t -102.14 142.61 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' VAL . 13.5 mmtm -40.18 137.1 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.9 t -85.73 16.97 3.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 108.311 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.59 25.91 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -101.77 -28.82 12.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.2 m -107.23 -33.4 7.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -101.65 80.22 2.02 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.728 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -93.42 34.79 1.13 Allowed 'General case' 0 CA--C 1.539 0.545 0 O-C-N 124.161 0.913 . . . . 0.0 109.79 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 5.0 mp0 -114.12 144.84 32.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 45' ' ' GLN . 61.1 Cg_endo -78.88 149.89 23.31 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' PRO . . . -37.21 -30.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -53.82 -49.79 67.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 47' ' ' ALA . 1.4 mtpt -137.34 35.96 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -52.79 -61.21 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -85.06 9.24 15.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.831 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 44' ' ' LYS . . . -58.67 149.72 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.637 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -37.55 152.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.092 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.2 t -86.22 -40.93 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 55' ' ' HIS . 12.8 p -99.79 30.52 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.85 177.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.3 t70 -66.06 147.7 52.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.94 14.55 24.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 21.6 m -115.65 -132.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.794 ' O ' HG22 ' A' ' 50' ' ' THR . 36.8 m-70 -104.78 67.7 0.82 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.748 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.5 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 18.1 p-10 -96.24 -43.77 7.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.65 117.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 26.0 mt -106.06 43.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.78 164.15 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -108.74 -51.28 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.02 -14.58 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -43.97 82.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 6.4 mmmt 76.94 -148.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 160.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.037 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.9 p -91.94 34.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' CYS . 2.2 m-80 -127.77 17.23 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.7 m -98.89 110.84 23.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -48.39 -43.67 34.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.656 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 87.7 t80 -85.08 53.55 2.79 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.845 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.1 tptm -142.51 -59.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.1 m -69.42 -8.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 t -88.66 -38.6 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 39.6 m80 -111.95 17.83 19.35 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.771 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.729 ' HB2' HG21 ' A' ' 82' ' ' THR . 6.5 m-20 -78.67 61.41 2.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.587 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -51.43 -29.13 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -56.29 -32.08 64.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.55 140.83 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.095 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -124.8 -137.49 4.82 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.727 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -59.18 -41.39 88.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -125.39 147.77 58.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 10.5 Cg_endo -52.33 150.88 18.98 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.339 3.359 . . . . 0.0 109.57 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.729 HG21 ' HB2' ' A' ' 74' ' ' ASP . 4.8 p -99.21 -107.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.395 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -144.59 -47.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 108.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.587 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -80.22 -14.95 13.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.442 ' HG ' ' H ' ' A' ' 82' ' ' THR . 88.1 p -76.43 -77.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 85' ' ' SER . 52.7 t -39.65 -39.81 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.502 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 5.4 m-70 -63.77 -53.07 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.779 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.6 OUTLIER -61.85 -16.98 54.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.12 16.22 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -142.49 73.65 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -179.45 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.1 -153.87 21.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 95' ' ' LYS . 1.3 p30 -75.05 -20.43 59.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 96' ' ' GLU . 4.8 m-20 -63.07 80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' ASP . 2.6 pttm -44.78 -25.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 94' ' ' ASP . 1.2 tt0 -54.76 -33.28 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -98.6 7.59 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -102.2 -33.93 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -58.54 -36.78 74.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -107.5 81.6 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp 171.28 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 103' ' ' GLY . 82.5 p -116.06 -26.56 7.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 102' ' ' THR . . . -43.71 170.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.8 OUTLIER -116.58 -75.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -80.51 90.65 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.33 31.49 1.84 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 109' ' ' CYS . 56.2 p -128.43 163.86 23.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.847 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -45.88 -25.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.494 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.9 m -117.39 145.0 44.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.437 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 6.9 m-70 56.31 63.33 5.86 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.765 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 88.5 Cg_endo -83.54 137.8 8.15 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.299 3.332 . . . . 0.0 109.602 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.917 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.899 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.005 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.636 ' CGD' ' CHA' ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.474 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' VAL . 35.8 m-20 -42.76 163.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.639 HG21 ' HE2' ' A' ' 30' ' ' LYS . 2.8 m -66.99 152.49 95.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.654 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 72.8 Cg_endo -75.6 135.92 18.59 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.267 3.311 . . . . 0.0 109.563 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.98 171.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 172.23 9.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.36 33.16 10.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 112.45 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.75 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.558 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -89.08 115.23 26.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' CGD' ' A' ' 116' ' ' HEC . 55.7 mt -97.43 111.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.607 ' HB2' HG23 ' A' ' 21' ' ' THR . 26.6 t0 -150.41 87.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -98.93 -5.79 30.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.522 HG21 ' O2A' ' A' ' 116' ' ' HEC . 3.6 mt -105.59 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.22 -43.65 67.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.99 -95.04 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.13 82.17 0.04 OUTLIER Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 36.7 tt0 55.65 165.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 40.33 48.56 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' ND2' ' OD2' ' A' ' 11' ' ' ASP . 14.9 p-10 -85.84 -177.34 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' ND1' ' A' ' 110' ' ' HIS . 1.3 pt? -122.66 143.98 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 11' ' ' ASP . 6.9 m -127.71 139.54 52.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 t -109.53 128.29 65.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.03 131.26 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.5 t80 -112.7 150.97 30.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -139.35 122.05 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.654 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 25.1 m80 -79.04 -1.28 34.91 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.767 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 p -78.79 -30.12 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -102.48 23.67 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -147.87 32.16 0.85 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.735 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.639 ' HE2' HG21 ' A' ' 3' ' ' VAL . 9.3 mttt -89.11 -36.96 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.69 2.78 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG1' ' OD2' ' A' ' 36' ' ' ASP . 50.5 t -106.8 124.13 62.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -48.25 127.46 12.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.45 -27.79 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.348 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 p30 -69.82 -8.65 50.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.6 OUTLIER -76.39 -29.09 56.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 70.3 m -113.53 -39.05 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -96.24 84.47 3.77 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -100.52 34.77 2.31 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.208 0.942 . . . . 0.0 109.789 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.618 ' OE1' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -100.48 107.61 49.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.267 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.63 156.48 21.41 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.324 3.35 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.53 -131.2 10.45 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -127.69 22.64 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -135.77 47.89 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -20.61 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.474 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 1.6 m-85 -106.21 13.75 28.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.872 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.618 ' HB3' ' OE1' ' A' ' 40' ' ' GLN . . . -49.2 151.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.786 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -36.68 140.71 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' SG ' ' CZ3' ' A' ' 68' ' ' TRP . 3.6 t -80.39 -41.13 25.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.852 HG22 ' O ' ' A' ' 55' ' ' HIS . 18.2 p -102.0 40.45 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m -73.45 172.98 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 5.2 p-10 -60.93 142.93 55.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 59.28 25.67 60.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.418 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 14.6 m -126.35 -133.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.852 ' O ' HG22 ' A' ' 50' ' ' THR . 28.7 m-70 -103.32 68.6 0.97 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.749 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.0 p-10 -97.14 -47.04 5.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG2' ' OD1' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -39.94 115.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.4 mt -105.05 43.0 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' OD1' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -131.39 177.13 7.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 pttp -136.85 34.57 2.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.32 13.49 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.32 -18.64 12.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER 63.85 -145.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.2 m 61.47 161.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 47.7 t -91.86 38.79 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -125.32 18.98 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -106.85 106.74 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.444 ' CZ3' ' SG ' ' A' ' 49' ' ' CYS . 40.9 t-105 -43.35 -30.84 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.629 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.2 t80 -94.6 46.0 1.13 Allowed 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.847 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -138.08 -59.81 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -68.82 -7.09 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.6 t -90.33 -43.26 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.607 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.6 m80 -108.11 18.03 21.63 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.738 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -79.54 70.66 6.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.79 -33.26 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.26 100.88 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.22 -129.71 1.51 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 168.76 -97.26 0.13 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.892 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.35 -35.79 63.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -151.46 146.68 19.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 33.4 Cg_endo -60.12 161.64 18.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.301 3.334 . . . . 0.0 109.582 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.738 HG21 ' CB ' ' A' ' 74' ' ' ASP . 5.0 p -104.49 -111.3 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.38 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' HIS . 60.8 m -139.23 -45.39 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.34 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.42 -26.15 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.474 ' O ' ' C ' ' A' ' 86' ' ' CYS . 78.0 p -63.27 -82.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.501 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 52.9 t -36.95 -46.56 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 90' ' ' LYS . 5.3 m-70 -58.75 -63.59 1.24 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.753 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -18.33 3.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.58 26.46 9.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.501 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -146.27 45.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.599 ' HB1' ' O ' ' A' ' 97' ' ' LEU . . . -160.65 36.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.526 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 27.4 -100.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.9 p-10 -153.61 43.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 22.5 t70 -93.31 176.57 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -99.05 -64.24 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -54.0 -30.13 46.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.011 ' O ' HD21 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -94.28 8.33 42.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -111.42 -25.29 9.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -88.54 -52.52 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.481 ' C ' HD13 ' A' ' 101' ' ' LEU . 20.5 tttp -42.5 -26.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.42 131.47 45.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.767 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.4 p 72.99 3.22 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 107' ' ' SER . . . -83.98 92.45 1.7 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.909 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 76.0 m -36.83 -59.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -114.12 97.98 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 120.0 40.08 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 4.2 p -144.75 152.88 41.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.533 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -39.68 -29.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.492 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 44.2 m -102.6 134.33 46.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.445 ' ND1' HD12 ' A' ' 20' ' ' LEU . 2.1 m-70 52.35 85.67 0.18 Allowed Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.777 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -89.81 144.18 4.38 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.283 3.322 . . . . 0.0 109.615 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.979 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 1.032 ' CGD' HMD1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.03 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.909 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.52 ' CG1' ' OH ' ' A' ' 46' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 1' ' ' VAL . 7.0 m-20 -38.21 158.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.849 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -114.09 80.91 5.84 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 29.8 Cg_endo -86.04 -178.56 2.89 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.332 3.355 . . . . 0.0 109.594 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.97 162.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -169.65 172.96 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.21 38.28 92.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.031 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HB1' ' O1D' ' A' ' 113' ' ' HEC . . . -82.65 81.16 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -58.15 121.24 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.63 113.86 34.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.541 ' HB2' HG23 ' A' ' 21' ' ' THR . 47.1 t0 -156.51 70.16 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -82.04 8.21 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.638 HD13 ' O2A' ' A' ' 116' ' ' HEC . 1.1 mp -116.67 138.45 47.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -112.39 58.46 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -47.92 -80.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.597 1.185 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.72 -162.94 15.46 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' ASN . 17.7 tt0 -39.03 -63.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -70.06 62.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.888 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.9 t-20 -50.12 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.955 HD12 ' O2D' ' A' ' 116' ' ' HEC . 0.1 OUTLIER -136.08 110.65 8.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.1 m -123.06 127.95 49.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 t -111.38 129.06 67.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.1 t -89.58 127.91 41.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 8.5 t80 -110.58 152.24 26.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.24 118.55 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.849 ' CD2' HG11 ' A' ' 3' ' ' VAL . 17.9 m80 -71.15 -4.21 24.19 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.949 -1.023 . . . . 0.0 109.759 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 20.0 p -97.76 24.27 7.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 3.0 p -147.48 27.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 28' ' ' THR . 55.4 m80 -163.17 31.99 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.77 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' CE ' ' HA ' ' A' ' 27' ' ' SER . 4.3 mttm -80.94 -27.99 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 4.56 22.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.75 144.24 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.64 125.83 26.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.585 ' SG ' ' HHC' ' A' ' 113' ' ' HEC . 77.9 m -66.94 -9.07 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -83.69 -14.5 51.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' HG2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -84.44 -21.57 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.673 ' O ' HBB2 ' A' ' 114' ' ' HEC . 76.9 m -112.69 -38.22 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' CYS . 76.7 m-70 -116.74 84.45 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.784 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -95.13 33.58 1.51 Allowed 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.144 0.902 . . . . 0.0 109.799 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.416 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -98.1 165.91 14.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.08 149.31 25.35 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.27 3.314 . . . . 0.0 109.593 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 43' ' ' ASP . . . -56.67 102.07 0.18 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 42' ' ' GLY . 2.2 m-20 157.88 -43.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -130.89 25.59 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 21.1 tt0 -52.45 -22.35 4.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' OH ' ' CG1' ' A' ' 1' ' ' VAL . 0.0 OUTLIER -106.07 19.9 19.8 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.808 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -79.23 135.93 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.537 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -39.07 152.39 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 26.7 m -76.35 -46.87 25.55 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' THR . 76.1 p -59.38 -67.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.7 OUTLIER 35.09 -139.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 2.0 m-20 -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.91 44.32 87.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 50' ' ' THR . 19.9 m -141.71 -127.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.426 ' C ' ' HA ' ' A' ' 50' ' ' THR . 50.6 m-70 -100.87 59.97 0.94 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.751 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.7 t-20 -88.99 -46.37 8.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.02 114.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 37.9 mt -103.72 42.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 51.9 t0 -133.21 144.61 49.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.54 -6.09 53.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.65 -44.2 87.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.63 119.91 20.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 13.62 12.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.1 p -73.44 167.51 21.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.5 t -91.55 35.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -128.71 18.04 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.34 111.18 23.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.004 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 38.1 t-105 -46.16 -42.84 14.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.787 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 80.0 t80 -86.2 52.73 2.57 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.869 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -141.21 -59.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.162 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -72.23 -3.94 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.57 -40.26 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.787 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 61.5 m80 -109.79 16.55 21.97 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.789 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.746 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.2 m-20 -80.31 69.24 6.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -53.32 -45.95 69.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -43.94 -44.95 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.54 140.6 6.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.71 -140.92 7.16 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.825 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.75 -38.32 67.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 149.69 73.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 36' ' ' ASP . 9.6 Cg_endo -49.29 153.15 4.86 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.327 3.351 . . . . 0.0 109.599 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.746 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.5 p -104.48 -102.15 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.501 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 60.6 m -145.07 -46.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 0.6 OUTLIER -81.76 -22.34 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' A' ' 82' ' ' THR . 78.9 p -68.4 -77.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.499 ' SG ' ' CD ' ' A' ' 90' ' ' LYS . 47.0 t -39.41 -45.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 108.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.699 ' CG ' HD13 ' A' ' 101' ' ' LEU . 5.6 m-70 -58.04 -62.73 1.61 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.776 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -19.24 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.61 19.51 17.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.499 ' CD ' ' SG ' ' A' ' 86' ' ' CYS . 0.1 OUTLIER -149.45 79.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -173.29 -54.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 107.44 -110.27 3.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 93' ' ' ASP . 25.3 t70 -140.04 45.79 1.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 15.5 t70 -98.83 175.9 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' LYS . 28.4 mmtm -108.89 -66.45 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' HA ' ' CD ' ' A' ' 99' ' ' LYS . 50.7 mm-40 -52.11 -32.4 35.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.76 -21.2 26.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -84.15 -30.05 26.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -84.9 -23.07 29.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.575 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -109.36 87.46 2.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.699 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 157.75 -26.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 103' ' ' GLY . 36.8 p -137.93 -45.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -39.29 161.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.505 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.4 OUTLIER -104.64 -75.05 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -76.0 94.32 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.1 32.12 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.458 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -131.91 160.96 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.018 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.803 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -48.32 -24.1 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 64.4 m -113.68 139.41 49.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.413 ' N ' ' HD3' ' A' ' 111' ' ' PRO . 9.6 m-70 55.84 68.99 2.06 Favored Pre-proline 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.79 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 110' ' ' HIS . 89.2 Cg_endo -89.63 140.93 3.75 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.341 3.36 . . . . 0.0 109.575 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.986 HMB1 HBB2 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 1.005 ' CGD' HMD1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.01 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.955 ' O2D' HD12 ' A' ' 20' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 1' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.96 ' O ' HMB2 ' A' ' 113' ' ' HEC . 7.3 t0 38.87 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.775 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 p -150.46 67.99 8.32 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 43.5 Cg_endo -92.36 -166.75 0.17 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.572 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 4' ' ' PRO . . . 83.9 167.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.17 169.53 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.26 42.83 96.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.829 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -69.77 87.97 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 9.5 tptt -69.32 109.55 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.2 mt -97.78 114.79 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.57 ' HB2' HG23 ' A' ' 21' ' ' THR . 10.9 t0 -158.48 70.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -89.98 -25.41 20.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.5 mt -93.47 99.06 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.67 164.24 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.89 170.48 43.41 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.99 -165.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 18' ' ' LYS . 43.6 tt0 -38.86 156.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 0.1 OUTLIER 66.79 77.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' C ' HD23 ' A' ' 20' ' ' LEU . 18.7 p-10 -82.64 138.52 34.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD12 HBA2 ' A' ' 116' ' ' HEC . 2.7 mt -95.75 129.73 42.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -138.97 152.02 47.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 t -141.59 128.48 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG2' ' NZ ' ' A' ' 9' ' ' LYS . 37.5 t -94.03 134.07 32.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.829 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 6.0 t80 -114.61 150.24 35.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -142.05 118.37 10.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.664 ' CD2' ' CG2' ' A' ' 3' ' ' VAL . 40.1 m80 -68.5 -7.14 29.49 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.767 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.607 ' O ' HG23 ' A' ' 28' ' ' THR . 75.4 p -95.28 31.4 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' SER . 3.2 p -157.57 32.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.433 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 28' ' ' THR . 51.6 m80 -165.34 34.53 0.06 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.787 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' C ' ' CD ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -85.35 -35.2 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.87 3.02 21.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 33' ' ' LYS . 2.2 t -85.11 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.821 ' O ' HMC3 ' A' ' 113' ' ' HEC . 6.2 mttt 161.07 137.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.6 t -70.46 -47.97 58.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.261 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -91.6 38.05 0.97 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' OD2' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -108.44 -28.9 9.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' OD2' ' A' ' 36' ' ' ASP . 86.4 m -108.62 -34.88 6.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -100.81 90.41 4.21 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.755 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -94.59 30.46 2.01 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 124.172 0.92 . . . . 0.0 109.796 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.6 mp0 -109.37 161.93 22.08 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.8 Cg_endo -76.66 140.63 21.24 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.352 . . . . 0.0 109.63 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.86 -30.38 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -46.97 -28.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 1.2 mtmt -170.47 36.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HA ' ' CB ' ' A' ' 40' ' ' GLN . 33.5 tt0 -53.93 -21.05 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.47 23.29 14.68 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.871 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -83.92 145.92 28.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.591 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -44.18 153.01 0.44 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 22.1 m -76.61 -45.59 29.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 51' ' ' THR . 67.4 p -61.24 -66.74 0.49 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER 33.77 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 42.6 t0 -118.63 140.87 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.78 42.03 84.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 50' ' ' THR . 24.0 m -139.26 -126.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.431 ' C ' ' HA ' ' A' ' 50' ' ' THR . 55.8 m-70 -101.59 59.0 0.86 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.747 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.515 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 31.2 t-20 -87.4 -47.27 8.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -40.22 116.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.2 mt -105.92 42.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -133.68 145.38 49.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -87.92 -15.11 37.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.22 -72.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.47 114.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -90.76 80.27 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -149.97 170.89 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG11 ' CAD' ' A' ' 114' ' ' HEC . 5.7 p -91.05 34.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -121.03 10.38 10.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 m -101.63 116.11 32.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -50.94 -43.28 60.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 108.005 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 84.8 t80 -84.15 51.67 2.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.841 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 3.3 tptm -140.53 -58.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.2 m -71.39 -4.25 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.4 t -94.82 -40.76 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.804 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.9 m80 -109.89 16.21 22.12 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.742 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.735 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.3 m-20 -77.99 73.47 4.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' ASP . . . -39.86 -30.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -120.62 100.84 7.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.584 1.178 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.08 -125.46 0.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.35 -95.22 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.01 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -60.24 -40.66 91.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.482 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -140.76 145.86 41.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 37.4 Cg_endo -61.81 163.78 18.02 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.298 3.332 . . . . 0.0 109.566 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.735 HG21 ' CB ' ' A' ' 74' ' ' ASP . 10.9 p -106.66 -112.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.417 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.435 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 58.2 m -138.53 -45.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.1 mt -81.16 -20.57 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.421 ' HG ' ' H ' ' A' ' 82' ' ' THR . 80.3 p -69.06 -77.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 51.8 t -40.69 -47.93 2.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.831 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.1 m-70 -56.14 -60.71 3.11 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.774 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -55.13 -30.94 60.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -90.95 9.8 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.564 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 23.0 mttt -145.46 61.85 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.569 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . 171.32 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.61 -160.46 24.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -112.82 27.9 9.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 7.1 t70 -59.89 -16.48 29.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER 87.11 -61.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -53.09 -33.85 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.569 HD22 ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.85 -18.03 19.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -37.18 39.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.47 ' CE ' ' HG3' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -61.08 -42.1 97.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -103.66 84.55 2.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.831 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.27 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.619 ' HA ' HMC2 ' A' ' 116' ' ' HEC . 43.3 p -131.59 -43.42 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 102' ' ' THR . . . -33.34 149.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.878 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 37.3 m -87.09 -70.13 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -89.14 91.7 8.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.47 37.78 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 p -121.43 165.56 15.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.056 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.87 -0.52 16.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 12.6 m -107.95 -64.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 108.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' A' ' 104' ' ' CYS . 43.0 m-70 -105.56 104.3 47.55 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.75 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -91.89 144.05 2.88 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.297 3.331 . . . . 0.0 109.59 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.974 -179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.96 HMB2 ' O ' ' A' ' 2' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 1.01 ' CGA' ' HB3' ' A' ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.012 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.878 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER -40.2 159.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.42 HG13 ' H ' ' A' ' 3' ' ' VAL . 1.4 m -60.92 167.78 3.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.721 ' HG2' ' ND1' ' A' ' 26' ' ' HIS . 75.7 Cg_endo -92.31 148.71 2.99 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.286 3.324 . . . . 0.0 109.563 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.17 -163.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.78 168.4 9.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.13 25.91 22.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.609 ' HB3' ' HB3' ' A' ' 24' ' ' PHE . . . -76.02 80.9 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -66.29 117.44 8.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.99 121.02 51.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 21' ' ' THR . 31.3 t0 -158.77 86.67 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -100.53 -5.97 26.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.836 HG22 HD11 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -82.65 159.82 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.05 164.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.07 149.97 17.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.53 -168.1 40.65 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 47.7 tt0 -39.6 159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 17' ' ' GLU . 1.8 mtpm? 41.09 71.4 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LYS . 11.0 t-20 -40.02 120.55 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -93.53 116.92 29.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HB2' ' A' ' 9' ' ' LYS . 1.7 m -153.09 131.69 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.98 130.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.79 131.82 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.792 ' CE2' HMD2 ' A' ' 113' ' ' HEC . 6.1 t80 -116.66 149.69 39.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.557 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -136.76 140.08 42.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.721 ' ND1' ' HG2' ' A' ' 4' ' ' PRO . 17.4 m80 -95.75 -8.78 33.54 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.769 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.1 p -84.86 -18.88 33.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.7 p -105.96 23.14 14.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.409 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -153.88 39.97 0.49 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.774 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -32.68 10.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.03 6.85 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 3.0 t -87.97 -65.35 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.647 ' O ' HMC3 ' A' ' 113' ' ' HEC . 0.0 OUTLIER 161.23 143.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.0 t -91.14 38.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -177.54 40.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -111.6 -29.08 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 m -109.78 -27.82 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -93.25 88.89 6.19 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.789 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 5.1 p80 -107.7 33.37 4.1 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.15 0.906 . . . . 0.0 109.785 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.837 ' OE1' HMC2 ' A' ' 114' ' ' HEC . 4.2 mt-30 -111.56 92.24 16.28 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 39' ' ' HIS . 86.2 Cg_endo -79.78 123.61 5.34 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.341 3.361 . . . . 0.0 109.561 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.82 -114.14 1.82 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -120.01 -0.4 10.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.614 ' HA ' ' HB2' ' A' ' 47' ' ' ALA . 10.0 mtmt -92.37 -0.0 57.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -43.46 -41.16 4.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -113.62 26.39 10.42 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.856 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 44' ' ' LYS . . . -89.23 138.14 31.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -49.42 144.97 8.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.694 ' O ' HG23 ' A' ' 50' ' ' THR . 0.8 OUTLIER -85.73 64.28 8.53 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' CYS . 4.4 p -160.23 -38.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.8 OUTLIER -28.41 141.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' THR . 8.6 t70 -36.63 152.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' C ' ' SG ' ' A' ' 54' ' ' CYS . . . 58.82 38.88 93.07 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' SG ' ' C ' ' A' ' 53' ' ' GLY . 19.6 m -151.03 -132.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.631 ' CE1' HG11 ' A' ' 71' ' ' VAL . 34.7 m-70 -104.86 59.91 0.69 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.78 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 41.7 t-20 -84.7 -48.01 9.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -39.36 115.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 36.9 mt -104.9 41.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.96 138.86 35.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -92.18 38.66 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.24 -29.71 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -78.68 127.83 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -91.56 37.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -114.96 169.07 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.604 ' O ' HG12 ' A' ' 65' ' ' VAL . 60.6 t -91.58 36.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -122.18 13.61 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.96 111.97 24.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 49' ' ' CYS . 49.1 t-105 -49.89 -26.29 3.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.731 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.7 t80 -98.16 44.92 1.03 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.029 . . . . 0.0 109.801 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' ASP . 6.4 tptm -137.84 -58.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.631 HG11 ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -72.47 -4.22 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 t -94.91 -39.46 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.731 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 64.4 m80 -109.15 14.16 24.06 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.741 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.797 ' HB2' HG21 ' A' ' 82' ' ' THR . 3.9 m-20 -74.94 62.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 84' ' ' ILE . . . -47.11 -28.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -54.89 -61.18 2.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.08 132.64 6.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.76 -140.39 6.53 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.36 -26.98 61.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.641 ' HB3' HMA2 ' A' ' 114' ' ' HEC . 0.1 OUTLIER -134.3 135.82 24.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 80' ' ' LYS . 13.4 Cg_endo -55.7 157.25 16.22 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.32 3.347 . . . . 0.0 109.597 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.797 HG21 ' HB2' ' A' ' 74' ' ' ASP . 20.9 p -106.4 -116.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 1.072 . . . . 0.0 110.419 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 62.9 m -129.81 -43.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.26 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' A' ' 75' ' ' ALA . 3.8 mt -82.08 -33.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' A' ' 82' ' ' THR . 23.0 p -53.78 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.7 t -39.22 -60.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.9 ' CG ' HD13 ' A' ' 101' ' ' LEU . 6.8 m-70 -44.25 -57.05 3.69 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.739 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -55.26 -30.34 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' CYS . 6.5 t0 -85.0 5.91 27.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -134.33 68.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.05 -71.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -157.03 15.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 95' ' ' LYS . 18.1 p-10 -77.58 -20.4 54.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 96' ' ' GLU . 1.5 m-20 -59.43 85.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' HA ' ' CG ' ' A' ' 98' ' ' LYS . 4.4 mtpp -45.08 -25.19 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 94' ' ' ASP . 19.5 tp10 -57.24 -34.91 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.256 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 4.58 50.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' CG ' ' HA ' ' A' ' 95' ' ' LYS . 29.3 mtpt -98.62 -30.5 12.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 106' ' ' GLY . 23.8 mtpt -59.03 -43.24 91.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' O ' ' CB ' ' A' ' 101' ' ' LEU . 1.2 tttt -102.01 79.71 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.9 HD13 ' CG ' ' A' ' 87' ' ' HIS . 0.0 OUTLIER 155.05 -32.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.4 p -151.13 20.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' CYS . . . -91.71 99.1 2.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.127 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.884 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 85.4 m -39.56 -59.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.476 ' HG3' ' OXT' ' A' ' 112' ' ' SER . 5.8 ttmm -106.97 90.44 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 99' ' ' LYS . . . 126.43 37.92 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 51.7 p -125.01 161.34 26.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 0.778 . . . . 0.0 109.965 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.03 -7.31 28.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.8 m -97.01 -70.01 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -107.81 101.93 42.84 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.76 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -92.64 146.7 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.318 3.345 . . . . 0.0 109.571 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.476 ' OXT' ' HG3' ' A' ' 105' ' ' LYS . 71.2 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.792 HMD2 ' CE2' ' A' ' 24' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.923 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.023 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.884 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.495 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 40.2 m-20 -44.24 165.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.648 HG21 ' CD2' ' A' ' 26' ' ' HIS . 11.4 p -125.8 55.34 12.41 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.725 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 40.8 Cg_endo -78.86 124.73 6.31 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.301 3.334 . . . . 0.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 160.38 169.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.09 173.52 9.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.28 42.09 99.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.72 89.12 7.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.7 ' HD2' HG22 ' A' ' 23' ' ' VAL . 1.1 mptp? -70.36 109.37 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.99 109.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.59 ' HB2' HG23 ' A' ' 21' ' ' THR . 32.5 t0 -151.9 68.23 0.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -79.73 -18.35 51.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.568 HG21 HBA1 ' A' ' 116' ' ' HEC . 64.8 mt -105.89 100.96 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ILE . . . -40.53 -44.51 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.16 -157.03 44.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.4 -175.82 50.47 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' ASN . 2.4 tt0 -40.46 -68.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -55.16 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 35.7 t-20 -43.23 139.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD12 HAA2 ' A' ' 116' ' ' HEC . 16.8 mt -108.21 97.4 7.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.59 HG23 ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -116.3 139.56 50.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG23 ' O1D' ' A' ' 116' ' ' HEC . 11.5 t -125.54 130.16 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.7 HG22 ' HD2' ' A' ' 9' ' ' LYS . 40.2 t -92.41 131.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 9.5 t80 -115.71 152.44 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -140.84 124.58 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.648 ' CD2' HG21 ' A' ' 3' ' ' VAL . 27.6 m80 -74.55 -8.45 56.37 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.765 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.8 p -90.94 9.04 32.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.552 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 9.8 p -129.85 25.58 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 28' ' ' THR . 64.2 m80 -163.21 32.25 0.09 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.79 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.79 -29.98 36.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.54 2.72 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.01 137.89 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -41.7 112.88 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.73 -23.81 5.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 108.283 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -105.93 34.87 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' LYS . 3.0 t0 -102.56 -30.59 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.4 m -105.46 -34.7 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 0.0 108.316 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -97.22 84.79 3.55 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.715 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -97.17 33.08 2.02 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.163 0.915 . . . . 0.0 109.712 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' HG2' HMC2 ' A' ' 114' ' ' HEC . 2.4 mp0 -107.67 138.65 20.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -86.77 155.28 8.79 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.289 3.326 . . . . 0.0 109.577 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.68 -174.35 51.59 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -74.05 -4.35 34.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 47' ' ' ALA . 3.0 mmmm -91.87 13.27 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 40' ' ' GLN . 3.6 tt0 -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.892 ' CZ ' HMB3 ' A' ' 113' ' ' HEC . 24.3 m-85 -111.81 27.72 9.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.846 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 44' ' ' LYS . . . -78.18 148.78 33.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.573 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -37.6 154.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 m -91.07 -41.15 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 55' ' ' HIS . 16.7 p -86.71 38.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' ' CB ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -103.14 90.31 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 51' ' ' THR . 10.2 t0 86.43 -173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' CYS . . . -39.54 -25.9 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' GLY . 66.9 m -31.09 -87.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' THR . 89.5 m-70 -140.97 56.37 1.56 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.741 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 11.0 p-10 -86.02 -51.28 6.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -37.16 115.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 38.3 mt -106.48 38.15 2.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.45 159.75 24.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -108.96 -32.63 7.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.01 -21.62 66.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.58 111.02 22.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 70' ' ' LYS . 2.7 mmtp -63.13 -141.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' NZ ' ' A' ' 70' ' ' LYS . 17.9 m 69.95 154.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.2 t -91.67 36.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' CYS . 20.2 m120 -117.11 10.7 13.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 2.9 m -100.71 111.8 24.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -46.27 -45.51 17.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 107.938 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.644 ' O ' ' CD2' ' A' ' 69' ' ' TYR . 80.8 t80 -83.34 55.02 3.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.835 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 6.7 tptm -140.36 -58.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.99 -4.47 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -94.56 -40.42 11.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.635 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 52.7 m80 -111.24 18.1 19.63 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.737 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.0 OUTLIER -80.31 77.0 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.48 -27.19 69.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -62.39 -25.49 67.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.23 146.65 0.21 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.65 -148.14 6.96 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.49 -34.84 62.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -131.35 149.18 72.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 9.4 Cg_endo -51.24 153.42 9.64 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.274 3.316 . . . . 0.0 109.632 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 2.9 p -102.98 -104.98 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.413 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.43 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 56.7 m -148.77 -46.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.76 -10.65 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.408 ' HG ' ' H ' ' A' ' 82' ' ' THR . 73.0 p -83.04 -75.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.95 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB3' ' C2C' ' A' ' 115' ' ' HEC . 43.8 t -42.11 -33.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' ND1' ' HG ' ' A' ' 101' ' ' LEU . 5.5 m-70 -70.63 -51.93 24.74 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.736 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' HB2' HG21 ' A' ' 102' ' ' THR . 6.0 tttt -65.45 -36.4 83.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -67.88 -9.8 47.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -125.74 41.01 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' GLY . . . -129.45 20.89 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.26 -108.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 5.1 p-10 -153.26 42.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -103.32 175.62 5.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 98' ' ' LYS . 9.9 tttt -94.65 -55.22 3.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -49.46 -39.95 35.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -23.67 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.32 -35.88 76.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -87.72 -66.25 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 101' ' ' LEU . 11.3 tttt -38.69 -30.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.791 ' C ' HG23 ' A' ' 102' ' ' THR . 0.2 OUTLIER -123.7 122.48 38.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.791 HG23 ' C ' ' A' ' 101' ' ' LEU . 1.5 p 74.8 7.7 4.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 99' ' ' LYS . . . -80.27 154.25 36.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.856 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 62.9 m -98.99 -69.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -98.5 93.32 6.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.54 36.5 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 109' ' ' CYS . 1.3 p -130.26 157.42 42.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -40.63 -29.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 3.5 m -115.7 141.43 48.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 104' ' ' CYS . 7.8 m-70 61.49 67.73 1.31 Allowed Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.745 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.622 ' O ' ' OXT' ' A' ' 112' ' ' SER . 74.1 Cg_endo -86.69 137.32 4.77 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.324 3.349 . . . . 0.0 109.607 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.622 ' OXT' ' O ' ' A' ' 111' ' ' PRO . 8.3 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.999 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.911 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.744 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 0.981 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.856 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.14 -165.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.694 HG12 ' HD2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -90.63 140.14 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.769 ' HG2' ' CG ' ' A' ' 26' ' ' HIS . 20.7 Cg_endo -60.58 134.23 53.31 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 0.0 109.578 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.19 -157.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -116.75 175.7 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.6 28.04 22.94 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 120.31 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.75 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.531 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.78 109.36 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 40.0 mt -92.93 110.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HB2' HG23 ' A' ' 21' ' ' THR . 16.5 t0 -154.76 69.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -75.67 -14.21 60.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.787 HG12 HD13 ' A' ' 58' ' ' LEU . 10.1 mt -104.62 155.52 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 165.04 11.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -150.75 -120.42 0.95 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.105 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -167.87 -137.02 2.15 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 19' ' ' ASN . 2.9 tt0 -39.77 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -60.77 83.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' GLU . 8.4 t-20 -50.09 136.79 18.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' C ' ' OG1' ' A' ' 21' ' ' THR . 16.8 mt -112.85 115.13 27.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 11' ' ' ASP . 0.6 OUTLIER -152.49 140.26 19.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.7 t -123.13 125.4 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG22 ' HD2' ' A' ' 9' ' ' LYS . 21.4 t -87.6 128.48 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -120.93 144.8 48.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -129.43 124.12 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.769 ' CG ' ' HG2' ' A' ' 4' ' ' PRO . 2.1 m80 -70.57 -38.14 74.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.74 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -51.99 -31.32 28.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.7 p -92.19 18.46 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.443 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.513 ' O ' HMC2 ' A' ' 113' ' ' HEC . 50.1 m80 -150.67 30.56 0.66 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.774 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -24.39 17.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.616 ' OD1' HG23 ' A' ' 32' ' ' VAL . 1.1 p-10 -81.93 1.78 33.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 HG23 ' OD1' ' A' ' 31' ' ' ASP . 29.7 t -111.44 133.33 57.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.34 116.53 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.8 -21.39 19.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 16.4 p30 -72.99 -16.99 61.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -74.0 -28.22 61.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 9.5 m -105.83 -47.46 3.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 108.273 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ASP . 94.7 m-70 -87.57 124.7 33.77 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.765 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -39.34 -61.08 0.83 Allowed 'General case' 0 CA--C 1.539 0.534 0 O-C-N 124.12 0.888 . . . . 0.0 109.792 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.465 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 3.2 mt-30 170.86 172.6 0.17 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' CD ' ' HG2' ' A' ' 40' ' ' GLN . 32.1 Cg_exo -56.43 145.94 76.54 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.358 3.372 . . . . 0.0 109.603 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.19 -162.09 35.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.99 -25.35 18.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' CA ' ' HB2' ' A' ' 47' ' ' ALA . 19.5 mtmt -109.58 26.88 10.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' OE1' ' CD1' ' A' ' 46' ' ' TYR . 1.6 tm0? -49.12 -65.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.576 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 23.1 m-85 -84.1 8.99 13.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.775 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.444 ' HB2' ' CA ' ' A' ' 44' ' ' LYS . . . -49.45 156.4 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.739 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -37.29 157.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.84 -38.2 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.943 HG22 ' O ' ' A' ' 55' ' ' HIS . 7.2 p -102.3 24.63 9.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.6 m -58.74 161.25 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.5 OUTLIER -52.97 143.78 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.9 34.66 79.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 52' ' ' ASP . 8.8 m -138.01 -136.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.943 ' O ' HG22 ' A' ' 50' ' ' THR . 23.4 m-70 -98.28 66.01 1.73 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.771 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 5.5 p-10 -97.01 -49.0 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -36.78 115.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.787 HD13 HG12 ' A' ' 13' ' ' ILE . 41.1 mt -106.36 37.29 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -105.67 138.95 41.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -96.89 50.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.05 -58.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.45 117.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.6 mmtt -76.65 -19.92 57.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' LYS . 3.0 m -38.62 154.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.029 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.652 ' O ' HG13 ' A' ' 65' ' ' VAL . 3.0 p -89.76 41.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -136.13 22.66 3.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -98.97 119.7 38.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.829 ' O ' HG22 ' A' ' 71' ' ' VAL . 32.1 t-105 -55.82 -46.08 78.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.646 ' CD2' ' ND1' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -72.62 -0.21 12.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.819 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 7.8 tttm -106.0 3.17 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.829 HG22 ' O ' ' A' ' 68' ' ' TRP . 7.1 m -115.06 9.56 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' SG ' ' A' ' 83' ' ' CYS . 83.4 t -129.7 -58.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' ND1' ' CD2' ' A' ' 69' ' ' TYR . 44.5 m80 -77.94 3.33 14.87 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.727 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.838 ' HB3' HG21 ' A' ' 82' ' ' THR . 1.2 t0 -71.64 58.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.34 -32.97 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 77' ' ' GLY . 1.2 pttt -57.45 -49.33 76.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' ' CG ' ' A' ' 76' ' ' LYS . . . 73.98 138.19 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.58 -139.17 8.06 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -53.39 -32.86 51.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.813 ' HB2' HMA2 ' A' ' 114' ' ' HEC . 0.8 OUTLIER -128.9 144.49 52.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.09 152.71 57.17 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.294 3.329 . . . . 0.0 109.595 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.838 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -100.74 -98.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' SG ' HG13 ' A' ' 72' ' ' VAL . 56.1 m -146.81 -47.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 108.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.5 mt -77.66 -32.48 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 86' ' ' CYS . 63.2 p -55.86 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 90' ' ' LYS . 46.3 t -41.67 -62.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 108.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.506 ' CG ' ' HG ' ' A' ' 101' ' ' LEU . 6.8 m-70 -40.36 -57.49 1.75 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.745 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -51.95 -48.59 64.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.34 -22.95 66.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' CYS . 9.6 mmtt -106.97 54.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -144.44 31.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 44.42 -105.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -164.14 39.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.29 154.91 50.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -23.14 56.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -58.77 -44.76 90.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.3 1.54 56.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -100.65 -30.1 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -68.46 -32.91 73.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 3.1 tttt -113.13 76.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.506 ' HG ' ' CG ' ' A' ' 87' ' ' HIS . 1.9 tp 172.7 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 103' ' ' GLY . 58.8 p -126.74 -42.41 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -38.16 160.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.702 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 0.0 OUTLIER -105.54 -77.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -72.31 92.53 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.46 33.21 2.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.1 OUTLIER -132.79 161.26 34.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.976 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.659 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -46.86 -25.21 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.54 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 29.3 m -115.03 141.82 47.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 104' ' ' CYS . 5.0 m-70 56.09 69.07 1.98 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.762 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 112' ' ' SER . 98.8 Cg_endo -87.94 142.67 5.67 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.329 3.352 . . . . 0.0 109.577 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 111' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 1.015 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.94 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.037 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.702 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.597 ' CG1' ' CZ ' ' A' ' 46' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 1' ' ' VAL . 0.7 OUTLIER -51.23 -174.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.775 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -102.96 174.26 2.94 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.517 ' HD3' HG12 ' A' ' 3' ' ' VAL . 71.8 Cg_endo -92.27 137.73 1.75 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.312 3.342 . . . . 0.0 109.572 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.81 175.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 171.83 13.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.32 22.27 32.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.81 74.28 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' HG3' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -50.7 138.74 17.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.8 mt -113.14 116.31 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -158.13 71.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -79.68 -9.13 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.542 HD13 ' O1A' ' A' ' 116' ' ' HEC . 2.2 mt -90.73 109.2 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.47 -43.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' HA3' ' ND2' ' A' ' 19' ' ' ASN . . . 54.88 -124.28 31.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . 169.92 81.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' ASN . 26.1 tt0 64.83 -74.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 0.738 . . . . 0.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLY . 27.0 mtmt -70.27 60.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.939 ' C ' HD23 ' A' ' 20' ' ' LEU . 1.9 t-20 -97.25 -170.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.939 HD23 ' C ' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -129.78 113.9 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HG3' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -100.51 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 t -120.55 128.8 76.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.4 t -94.66 130.62 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -116.83 146.56 42.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.3 OUTLIER -139.32 108.67 6.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CD2' HG11 ' A' ' 3' ' ' VAL . 21.7 m80 -53.68 -31.18 46.78 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.771 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -52.28 -28.5 19.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 p -99.42 19.77 14.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -156.48 39.7 0.34 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.725 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -101.97 -21.35 14.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.96 6.31 45.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.503 HG11 ' OD2' ' A' ' 36' ' ' ASP . 48.4 t -112.52 137.23 46.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -52.42 122.18 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -62.01 -16.97 55.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -77.97 -12.51 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.503 ' OD2' HG11 ' A' ' 32' ' ' VAL . 1.1 p-10 -77.29 -25.49 51.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 17.4 m -113.1 -39.87 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -104.33 81.92 1.87 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.76 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -89.88 32.15 0.92 Allowed 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.084 0.865 . . . . 0.0 109.752 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 2.0 mp0 -95.58 168.41 10.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' GLN . 23.3 Cg_exo -62.74 140.46 80.59 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.359 3.373 . . . . 0.0 109.555 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.59 54.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.67 -31.18 57.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.607 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 15.5 mmmt -115.75 -80.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' CD1' ' A' ' 46' ' ' TYR . 0.2 OUTLIER 40.05 25.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 22.6 m-85 -143.52 18.79 1.86 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.863 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -99.15 145.92 26.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.593 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -50.61 161.23 1.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HA ' ' HHC' ' A' ' 114' ' ' HEC . 40.6 m -74.03 -48.71 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 55' ' ' HIS . 77.5 p -61.59 -67.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.428 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.2 m 36.66 -138.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -117.41 137.63 52.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 56.66 50.73 61.24 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 50' ' ' THR . 9.3 m -149.26 -131.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.493 ' O ' HG22 ' A' ' 50' ' ' THR . 35.5 m-70 -95.74 60.72 2.17 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.755 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 33.5 t-20 -92.87 -41.32 10.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -44.82 114.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 25.5 mt -103.45 42.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.52 156.6 35.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 pttt -106.4 -39.03 6.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.68 -14.97 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -99.56 110.95 23.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -137.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.2 t 68.37 156.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.728 ' O ' HG12 ' A' ' 65' ' ' VAL . 77.3 t -91.74 35.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -118.98 10.39 12.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.403 ' C ' ' N ' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -96.85 107.07 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 44.5 t-105 -44.61 -30.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.794 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 78.6 t80 -95.51 54.44 1.58 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.823 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 74' ' ' ASP . 5.2 tptm -144.4 -58.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.446 ' O ' ' HB ' ' A' ' 82' ' ' THR . 1.0 OUTLIER -71.49 -3.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.37 -43.72 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.794 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 57.5 m80 -106.27 13.79 28.33 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.742 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.715 ' CB ' HG21 ' A' ' 82' ' ' THR . 1.7 m-20 -77.1 67.77 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.89 -28.38 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -56.88 -36.52 70.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.71 137.1 0.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.84 -139.89 6.01 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.723 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -57.49 -38.81 75.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.42 148.55 61.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.58 156.17 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.337 3.358 . . . . 0.0 109.633 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.715 HG21 ' CB ' ' A' ' 74' ' ' ASP . 4.3 p -104.57 -105.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.431 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.427 ' HA ' ' CHC' ' A' ' 115' ' ' HEC . 61.2 m -145.32 -46.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.535 HD11 ' HHC' ' A' ' 116' ' ' HEC . 0.1 OUTLIER -83.84 -13.35 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' A' ' 82' ' ' THR . 79.7 p -77.2 -75.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' SER . 43.3 t -41.12 -44.43 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -57.67 -54.13 50.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.803 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -39.35 79.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -13.82 62.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 57.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -164.51 -56.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.22 -102.75 2.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 21.5 t0 -142.46 46.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.68 175.5 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . 17.6 mttt -106.99 -64.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -57.4 -30.62 65.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.23 -2.02 57.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -110.97 -21.16 12.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' LYS . 20.0 mtpp -80.7 -28.35 36.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -114.88 82.04 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 101' ' ' LEU . 1.1 tp 172.37 -45.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 103' ' ' GLY . 68.2 p -125.09 -38.95 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 107' ' ' SER . . . -37.64 159.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -105.08 -76.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -74.6 94.38 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.71 32.93 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -134.09 161.88 33.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.762 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -49.58 -23.45 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 86.1 m -112.35 134.29 53.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 108.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 104' ' ' CYS . 8.5 m-70 57.78 70.63 1.24 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.75 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -91.42 137.81 2.09 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.304 3.336 . . . . 0.0 109.62 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 0.993 HBB3 HMB1 ' A' ' 113' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 0.73 HBB3 HMB1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 1.005 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.66 HMC1 HBC3 ' A' ' 116' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.93 ' O ' HMB2 ' A' ' 113' ' ' HEC . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' C ' ' HD3' ' A' ' 4' ' ' PRO . 63.6 m-20 -40.29 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.93 HG13 ' CHB' ' A' ' 113' ' ' HEC . 0.1 OUTLIER -108.83 75.83 0.66 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.702 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 95.9 Cg_endo -74.16 104.94 1.93 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.372 3.382 . . . . 0.0 109.62 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 4' ' ' PRO . . . 162.06 167.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.1 175.58 9.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.44 33.16 85.48 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.123 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 1.044 ' HB1' ' O1D' ' A' ' 113' ' ' HEC . . . -74.48 76.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 0.718 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.672 ' HG3' HG21 ' A' ' 21' ' ' THR . 2.8 tmtt? -58.18 114.32 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -93.39 106.48 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -150.98 71.16 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -86.8 -10.15 54.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.575 HD11 ' O1A' ' A' ' 116' ' ' HEC . 0.7 OUTLIER -79.78 117.49 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.63 61.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.77 5.95 27.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 37.74 -113.4 0.23 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 17.3 tt0 -89.58 161.46 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' GLU . 20.9 tttm 87.65 -12.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -87.36 -160.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD22 ' HB3' ' A' ' 110' ' ' HIS . 0.2 OUTLIER -145.09 134.74 23.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.672 HG21 ' HG3' ' A' ' 9' ' ' LYS . 1.1 m -97.47 155.21 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.91 125.2 51.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -95.55 131.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' ASN . 7.7 t80 -111.51 149.51 31.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.563 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.2 OUTLIER -141.29 122.25 14.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.916 ' NE2' HG11 ' A' ' 3' ' ' VAL . 26.9 m80 -69.33 -8.12 43.38 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 28' ' ' THR . 75.2 p -93.51 27.32 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.009 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.561 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 2.7 p -152.42 29.22 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 28' ' ' THR . 56.7 m80 -164.98 33.1 0.06 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.743 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -83.34 -26.54 30.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.9 5.64 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LYS . 25.2 t -105.65 134.54 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER -40.07 114.13 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.5 t -51.72 -25.19 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -101.7 34.86 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' LYS . 2.6 t0 -105.47 -30.78 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 60.7 m -105.7 -33.81 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.345 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -102.7 98.6 8.6 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.78 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -111.24 29.61 7.65 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.168 0.917 . . . . 0.0 109.776 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.58 165.35 15.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 43' ' ' ASP . 53.9 Cg_endo -76.88 152.34 32.12 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.3 3.334 . . . . 0.0 109.566 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -37.74 -30.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.2 t70 -72.36 66.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.632 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER 89.48 52.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -50.95 -23.24 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.05 24.78 12.49 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.853 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' CB ' ' A' ' 44' ' ' LYS . . . -60.54 148.09 39.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.807 ' O ' HMC3 ' A' ' 114' ' ' HEC . . . -42.22 142.48 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HA ' ' CHC' ' A' ' 114' ' ' HEC . 8.6 m -73.49 -44.22 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' THR . 72.3 p -64.04 -68.51 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' THR . 0.9 OUTLIER 32.73 -139.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 6.0 m-20 -119.83 142.64 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 55.72 37.14 67.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 50' ' ' THR . 30.9 m -134.27 -124.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.675 ' ND1' HG11 ' A' ' 71' ' ' VAL . 60.0 m-70 -104.69 58.02 0.7 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.764 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 10.7 p-10 -85.04 -47.76 9.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -39.97 115.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 56' ' ' ASN . 34.7 mt -105.19 42.02 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -133.41 145.04 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.16 -29.7 13.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.29 -18.51 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.71 135.43 33.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -100.36 123.38 44.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER 159.93 163.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.739 ' O ' HG12 ' A' ' 65' ' ' VAL . 76.5 t -91.82 33.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -119.38 9.03 11.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -97.72 116.93 30.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 71' ' ' VAL . 36.0 t-105 -53.19 -37.03 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.671 ' CE1' ' CE1' ' A' ' 73' ' ' HIS . 69.9 t80 -83.84 13.31 4.96 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.845 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.1 10.14 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.675 HG11 ' ND1' ' A' ' 55' ' ' HIS . 10.9 m -126.69 14.31 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.735 HG13 ' SG ' ' A' ' 83' ' ' CYS . 98.1 t -130.82 -57.7 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.671 ' CE1' ' CE1' ' A' ' 69' ' ' TYR . 50.3 m80 -80.51 1.98 27.22 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.744 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.742 ' HB3' HG21 ' A' ' 82' ' ' THR . 7.2 t0 -69.77 60.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 84' ' ' ILE . . . -42.61 -28.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -66.29 -51.03 61.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 74' ' ' ASP . . . 74.5 164.7 11.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -137.46 -135.95 3.42 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.699 ' HB3' ' CGA' ' A' ' 114' ' ' HEC . . . -54.62 -21.66 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HB3' HMA2 ' A' ' 114' ' ' HEC . 3.3 ttmt -141.81 139.66 18.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' LYS . 28.8 Cg_endo -60.83 155.31 49.99 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.355 3.37 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.742 HG21 ' HB3' ' A' ' 74' ' ' ASP . 1.1 p -102.6 -101.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.735 ' SG ' HG13 ' A' ' 72' ' ' VAL . 59.5 m -140.57 -47.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.424 ' CG2' ' HB2' ' A' ' 75' ' ' ALA . 1.0 OUTLIER -77.91 -32.34 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.605 ' HG ' ' H ' ' A' ' 82' ' ' THR . 45.8 p -55.56 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.966 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' SER . 51.1 t -39.14 -55.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 108.308 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -48.17 -58.33 4.67 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.779 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 tttm -55.44 -29.43 58.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.17 9.18 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -135.6 69.53 1.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 97' ' ' LEU . . . -176.39 -71.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 120.22 -113.72 2.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -136.1 49.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 25.8 t0 -98.51 177.56 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -99.51 -60.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 100' ' ' LYS . 6.7 mm-40 -56.57 -27.94 59.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -96.81 6.67 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 1.0 OUTLIER -109.3 -24.96 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 31.76 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 39.5 tttt -133.63 -58.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -86.21 -5.65 59.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 101' ' ' LEU . 5.0 p -152.33 21.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.34 151.27 26.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.789 ' SG ' HMB1 ' A' ' 116' ' ' HEC . 76.5 m -95.75 -65.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.643 ' HG2' ' OXT' ' A' ' 112' ' ' SER . 0.0 OUTLIER -105.51 92.1 4.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 119.38 36.56 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' N ' ' A' ' 109' ' ' CYS . 0.1 OUTLIER -133.28 161.83 33.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.993 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.793 ' HB1' HMA3 ' A' ' 115' ' ' HEC . . . -40.86 -29.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB2' ' C2C' ' A' ' 116' ' ' HEC . 33.4 m -114.05 138.19 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.269 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.611 ' HB3' HD22 ' A' ' 20' ' ' LEU . 2.2 m-70 56.25 88.56 0.12 Allowed Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.769 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -92.83 144.06 2.34 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.325 3.35 . . . . 0.0 109.601 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.643 ' OXT' ' HG2' ' A' ' 105' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HEC . . . . . 1.044 ' O1D' ' HB1' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HEC . . . . . 1.03 ' CGD' HMD1 ' A' ' 114' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HEC . . . . . 0.997 HBC3 HMC1 ' A' ' 115' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HEC . . . . . 0.789 HMB1 ' SG ' ' A' ' 104' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_